smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C[NH2+][C@]2(CO)CCOC2)c1O ZINC000184197430 351405011 /nfs/dbraw/zinc/40/50/11/351405011.db2.gz WHSMIFVEEODFAO-ZDUSSCGKSA-N 1 0 253.298 0.642 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000271777124 353033996 /nfs/dbraw/zinc/03/39/96/353033996.db2.gz DPKAULVTGIQDED-JTQLQIEISA-N 1 0 265.313 0.643 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000272022950 353034470 /nfs/dbraw/zinc/03/44/70/353034470.db2.gz XUADAMVECKVPIF-SNVBAGLBSA-N 1 0 295.339 0.652 20 10 CCCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)N(C)C)c1O ZINC000298148518 200345332 /nfs/dbraw/zinc/34/53/32/200345332.db2.gz RLBJCNUCTHNQAN-UHFFFAOYSA-N 1 0 287.385 0.186 20 10 CCCDRO COc1cccc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000093101795 389035664 /nfs/dbraw/zinc/03/56/64/389035664.db2.gz GBSMEQIYXKAVFL-UHFFFAOYSA-N 1 0 250.298 0.723 20 10 CCCDRO [NH3+]CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269257802 389411196 /nfs/dbraw/zinc/41/11/96/389411196.db2.gz URIGFSCBNLFPFP-UHFFFAOYSA-N 1 0 277.368 0.470 20 10 CCCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037415423 173191831 /nfs/dbraw/zinc/19/18/31/173191831.db2.gz OGBHVWIWYGBBPQ-GFCCVEGCSA-N 1 0 267.350 0.898 20 10 CCCDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(O)c1O ZINC000126469984 260353401 /nfs/dbraw/zinc/35/34/01/260353401.db2.gz YLYYGFAOJYWZPZ-MNOVXSKESA-N 1 0 292.335 0.691 20 10 CCCDRO COC[C@@H](O)CC[NH2+]Cc1cccc(OC)c1O ZINC000153769790 261082634 /nfs/dbraw/zinc/08/26/34/261082634.db2.gz AVTSXZWJAAXOCW-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[NH2+]CCO3)ccc21 ZINC000166477714 261390276 /nfs/dbraw/zinc/39/02/76/261390276.db2.gz SREYHFUVIAMNNB-OAHLLOKOSA-N 1 0 289.379 0.674 20 10 CCCDRO O=C1CO[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2N1 ZINC000377223617 268057329 /nfs/dbraw/zinc/05/73/29/268057329.db2.gz KVICDBPLIGNOML-AAEUAGOBSA-N 1 0 280.299 0.621 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1 ZINC000271866934 328198639 /nfs/dbraw/zinc/19/86/39/328198639.db2.gz VJXQFAJGHSTCIT-VIFPVBQESA-N 1 0 293.323 0.603 20 10 CCCDRO COC[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000357222678 328867026 /nfs/dbraw/zinc/86/70/26/328867026.db2.gz HOGVOMDNVQZFTH-NSHDSACASA-N 1 0 279.340 0.452 20 10 CCCDRO COC[C@H](O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000231608290 333326105 /nfs/dbraw/zinc/32/61/05/333326105.db2.gz YEWZXZGUTCVNCI-SNVBAGLBSA-N 1 0 269.297 0.608 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071267135 522419237 /nfs/dbraw/zinc/41/92/37/522419237.db2.gz NYTKVXJNOQXZTE-VIFPVBQESA-N 1 0 255.270 0.218 20 10 CCCDRO COc1c(O)c(C[N@@H+]2CC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278242787 521870306 /nfs/dbraw/zinc/87/03/06/521870306.db2.gz OBPIFXUXXDATAB-VIFPVBQESA-N 1 0 295.295 0.616 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H]2COC[C@@H]2OC)cc1OC ZINC000290953695 522782340 /nfs/dbraw/zinc/78/23/40/522782340.db2.gz QVAHNOUFHQGFFJ-HZMBPMFUSA-N 1 0 283.324 0.913 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000278157133 523932854 /nfs/dbraw/zinc/93/28/54/523932854.db2.gz AYZNTINEDPDLHO-NSHDSACASA-N 1 0 283.347 0.872 20 10 CCCDRO Cc1cc(Cl)cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1O ZINC000278387048 524864818 /nfs/dbraw/zinc/86/48/18/524864818.db2.gz MLHORJVSLGQSOQ-QWRGUYRKSA-N 1 0 257.717 0.891 20 10 CCCDRO CC[C@H](CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727059334 581299895 /nfs/dbraw/zinc/29/98/95/581299895.db2.gz XRISSEFJBJTHPY-CYBMUJFWSA-N 1 0 279.384 0.729 20 10 CCCDRO O=C(NCCN1CCCOCC1)C1=CC(=O)CS1 ZINC000783935010 581367853 /nfs/dbraw/zinc/36/78/53/581367853.db2.gz VDDJBBZSRXABGM-UHFFFAOYSA-N 1 0 270.354 0.906 20 10 CCCDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000734016886 581540859 /nfs/dbraw/zinc/54/08/59/581540859.db2.gz LNOHDNDSQUASGD-JTQLQIEISA-N 1 0 264.325 0.969 20 10 CCCDRO CN(C)C(=O)NCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000757867469 581713228 /nfs/dbraw/zinc/71/32/28/581713228.db2.gz VKIBLTAEEQVVLD-UHFFFAOYSA-N 1 0 295.339 0.824 20 10 CCCDRO CN(CC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761908660 581925724 /nfs/dbraw/zinc/92/57/24/581925724.db2.gz UCTNFWLOVGEWJW-UHFFFAOYSA-N 1 0 294.311 0.924 20 10 CCCDRO COc1c(O)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914220 582002501 /nfs/dbraw/zinc/00/25/01/582002501.db2.gz MICGFSKGMLMKOG-QWRGUYRKSA-N 1 0 293.323 0.960 20 10 CCCDRO CCN(C)C(=O)C[NH2+]Cc1c(O)cccc1OC ZINC000775367215 582021323 /nfs/dbraw/zinc/02/13/23/582021323.db2.gz ZAOCLLCNFADDCL-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCNC1=O ZINC000768465454 582107173 /nfs/dbraw/zinc/10/71/73/582107173.db2.gz NCKDJXOOTKRULX-CMPLNLGQSA-N 1 0 278.308 0.138 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000894092907 617175397 /nfs/dbraw/zinc/17/53/97/617175397.db2.gz AAXJZHPUEVWGQW-LLVKDONJSA-N 1 0 279.340 0.952 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@]2(CO)CCOC2)c1O ZINC000894460902 617176168 /nfs/dbraw/zinc/17/61/68/617176168.db2.gz HYYYUFOCYOIZCX-AWEZNQCLSA-N 1 0 267.325 0.950 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@H]2CNOC2)cc1OC ZINC000904424344 617207649 /nfs/dbraw/zinc/20/76/49/617207649.db2.gz FUSOXUWFDJHHCW-SECBINFHSA-N 1 0 254.286 0.402 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c(O)c1OC ZINC000892244131 617251146 /nfs/dbraw/zinc/25/11/46/617251146.db2.gz GCEJYWDVXWULCN-JTQLQIEISA-N 1 0 295.339 0.652 20 10 CCCDRO COc1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)c(O)c1 ZINC000832177573 617253516 /nfs/dbraw/zinc/25/35/16/617253516.db2.gz ASQCMCPNTQXFSQ-ZDUSSCGKSA-N 1 0 294.351 0.786 20 10 CCCDRO COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c(O)c1 ZINC000846680388 617256624 /nfs/dbraw/zinc/25/66/24/617256624.db2.gz ABZCQHJKUBVRHO-NHYWBVRUSA-N 1 0 292.335 0.253 20 10 CCCDRO COc1ccc(C[NH2+]CC(=O)N(C)OC)c(O)c1OC ZINC000894989094 617256964 /nfs/dbraw/zinc/25/69/64/617256964.db2.gz RMTDAVLUUPFNMC-UHFFFAOYSA-N 1 0 284.312 0.519 20 10 CCCDRO COc1ccc(CNC(=O)C[C@H](C[NH3+])OC)c(O)c1 ZINC000832178055 617253843 /nfs/dbraw/zinc/25/38/43/617253843.db2.gz LQPBOMAWUBUMLY-LLVKDONJSA-N 1 0 268.313 0.381 20 10 CCCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)c(O)c1OC ZINC000893361223 617260227 /nfs/dbraw/zinc/26/02/27/617260227.db2.gz IRJKWUFHXSCBQA-SECBINFHSA-N 1 0 282.340 0.976 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)[C@H](C)O)cc1 ZINC000930847692 617267105 /nfs/dbraw/zinc/26/71/05/617267105.db2.gz BPLAZKOZJLURBI-WFASDCNBSA-N 1 0 282.384 0.805 20 10 CCCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)[C@@H](C)O)CC2)cc1 ZINC000929315969 617267745 /nfs/dbraw/zinc/26/77/45/617267745.db2.gz NRHUYFLKOWWHNU-CJNGLKHVSA-N 1 0 294.395 0.949 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)cc1F ZINC000929820212 617267956 /nfs/dbraw/zinc/26/79/56/617267956.db2.gz ASSCWEFCAKXCIW-SMDDNHRTSA-N 1 0 298.358 0.698 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000132574608 617272967 /nfs/dbraw/zinc/27/29/67/617272967.db2.gz RDDKUEQSAJPNQI-IINYFYTJSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1cccc(CN2CCN(C)C[C@H]2C[NH3+])c1O ZINC000122513034 617297298 /nfs/dbraw/zinc/29/72/98/617297298.db2.gz QIQUBCGKVFBJJX-GFCCVEGCSA-N 1 0 265.357 0.476 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877764627 617297857 /nfs/dbraw/zinc/29/78/57/617297857.db2.gz LFXMYTNOGILNFB-TXEJJXNPSA-N 1 0 267.325 0.433 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CC(=O)N(C)OC ZINC000895041347 617305211 /nfs/dbraw/zinc/30/52/11/617305211.db2.gz UFBGHRSEQGPWGU-UHFFFAOYSA-N 1 0 254.286 0.510 20 10 CCCDRO CC(=O)N1CCN(CC[NH2+]Cc2c(C)cccc2O)CC1 ZINC000876931589 613415215 /nfs/dbraw/zinc/41/52/15/613415215.db2.gz PZVKVNNNCGGECS-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2CO)c1 ZINC000877643851 615512050 /nfs/dbraw/zinc/51/20/50/615512050.db2.gz KBNPKYKRPPSNMN-ZDUSSCGKSA-N 1 0 280.368 0.899 20 10 CCCDRO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000848889947 615683046 /nfs/dbraw/zinc/68/30/46/615683046.db2.gz NUODFEUHODAEBC-BETUJISGSA-N 1 0 251.326 0.882 20 10 CCCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1O ZINC000848917014 615683426 /nfs/dbraw/zinc/68/34/26/615683426.db2.gz ZJVRFNSVJRAXIW-CQSZACIVSA-N 1 0 299.392 0.594 20 10 CCCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210604 615865487 /nfs/dbraw/zinc/86/54/87/615865487.db2.gz JGHRCTKBTOGUNC-UHFFFAOYSA-N 1 0 291.395 0.826 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000842036546 616014514 /nfs/dbraw/zinc/01/45/14/616014514.db2.gz NQQSLFMDPUFFSJ-UHFFFAOYSA-N 1 0 292.383 0.222 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852855363 616015191 /nfs/dbraw/zinc/01/51/91/616015191.db2.gz JFOMABPZVHZQHH-KGLIPLIRSA-N 1 0 277.368 0.733 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1 ZINC000800892215 616015731 /nfs/dbraw/zinc/01/57/31/616015731.db2.gz ZAYMPQQIFWPXJT-UHFFFAOYSA-N 1 0 297.424 0.922 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cncnc2)cc1 ZINC000832285584 616019665 /nfs/dbraw/zinc/01/96/65/616019665.db2.gz SBQBHSYNTYCRGZ-OAHLLOKOSA-N 1 0 299.378 0.901 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000852791508 616019748 /nfs/dbraw/zinc/01/97/48/616019748.db2.gz IKAIFZGNLOTIOE-BARDWOONSA-N 1 0 289.379 0.761 20 10 CCCDRO COCC[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000105852763 616508230 /nfs/dbraw/zinc/50/82/30/616508230.db2.gz HHYCUFGABRBIKZ-UHFFFAOYSA-N 1 0 265.357 0.605 20 10 CCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000877679822 616583168 /nfs/dbraw/zinc/58/31/68/616583168.db2.gz QNWFTMMFZUZIQR-QWRGUYRKSA-N 1 0 294.351 0.856 20 10 CCCDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879650074 616705573 /nfs/dbraw/zinc/70/55/73/616705573.db2.gz ZTTVXNIEPJNAJX-RKDXNWHRSA-N 1 0 265.313 0.887 20 10 CCCDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769584 616708796 /nfs/dbraw/zinc/70/87/96/616708796.db2.gz IESXIPQADIRRLM-VIFPVBQESA-N 1 0 265.313 0.668 20 10 CCCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccccc2O)C1 ZINC000843434400 616724288 /nfs/dbraw/zinc/72/42/88/616724288.db2.gz KRZDHDXHOKHEQT-RYUDHWBXSA-N 1 0 265.309 0.748 20 10 CCCDRO COC[C@H](O)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905702148 616742933 /nfs/dbraw/zinc/74/29/33/616742933.db2.gz AAHCJUVTPVSNLU-CVEARBPZSA-N 1 0 295.427 0.952 20 10 CCCDRO COC[C@H](O)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905702150 616743313 /nfs/dbraw/zinc/74/33/13/616743313.db2.gz AAHCJUVTPVSNLU-HZPDHXFCSA-N 1 0 295.427 0.952 20 10 CCCDRO COC[C@]1(C(=O)N(C)c2ccc(N)cc2)CC[NH2+]C1 ZINC000877075798 616846239 /nfs/dbraw/zinc/84/62/39/616846239.db2.gz HYCOOUGVVHYJNL-AWEZNQCLSA-N 1 0 263.341 0.858 20 10 CCCDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000892185062 622651958 /nfs/dbraw/zinc/65/19/58/622651958.db2.gz YVKSQYWWLLVNIT-GHMZBOCLSA-N 1 0 279.340 0.741 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897059642 632384054 /nfs/dbraw/zinc/38/40/54/632384054.db2.gz CTHPVZIMIIAOJM-LLVKDONJSA-N 1 0 284.381 0.811 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1O ZINC000897279505 632458020 /nfs/dbraw/zinc/45/80/20/632458020.db2.gz RTBVYWYRDUJYFT-GFCCVEGCSA-N 1 0 297.380 0.035 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000323292645 633444987 /nfs/dbraw/zinc/44/49/87/633444987.db2.gz ODHFHIAFGNOKIT-KDDOJWQBSA-N 1 0 253.298 0.811 20 10 CCCDRO OC[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000839159646 640307269 /nfs/dbraw/zinc/30/72/69/640307269.db2.gz OEDSUSOLJRAYAB-ZDUSSCGKSA-N 1 0 255.289 0.851 20 10 CCCDRO [NH3+][C@H]1CCCCN(CC(=O)NCc2ccccc2O)C1=O ZINC000818214314 641314099 /nfs/dbraw/zinc/31/40/99/641314099.db2.gz VEUBDQOAMFLNHD-LBPRGKRZSA-N 1 0 291.351 0.348 20 10 CCCDRO Nc1ccc(CCNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000818545173 641334588 /nfs/dbraw/zinc/33/45/88/641334588.db2.gz MYIFTLYWHBSPNH-UHFFFAOYSA-N 1 0 288.355 0.182 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH3+])CCO ZINC000841824130 642840146 /nfs/dbraw/zinc/84/01/46/642840146.db2.gz KSWHVIDMIPZZOG-UHFFFAOYSA-N 1 0 294.399 0.524 20 10 CCCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[NH2+]1 ZINC000841955840 642860663 /nfs/dbraw/zinc/86/06/63/642860663.db2.gz PKRMJCIKVWPFTC-LLVKDONJSA-N 1 0 262.357 0.815 20 10 CCCDRO C[C@H](CC[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841955479 642860739 /nfs/dbraw/zinc/86/07/39/642860739.db2.gz DLOMWBIMKNFICQ-SNVBAGLBSA-N 1 0 250.346 0.848 20 10 CCCDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccccc1O ZINC000843488766 643074329 /nfs/dbraw/zinc/07/43/29/643074329.db2.gz OOCMXBPLVOSLDU-GFCCVEGCSA-N 1 0 264.325 0.777 20 10 CCCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1(O)C[NH2+]C1 ZINC000852860170 644028560 /nfs/dbraw/zinc/02/85/60/644028560.db2.gz LZSQMNVNKQZUBB-UHFFFAOYSA-N 1 0 275.352 0.237 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858311477 644606423 /nfs/dbraw/zinc/60/64/23/644606423.db2.gz GYOTXRRXQSHRNN-UHFFFAOYSA-N 1 0 299.396 0.281 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(O)c1 ZINC000876737751 646653251 /nfs/dbraw/zinc/65/32/51/646653251.db2.gz UCPATPBATSZSTA-LBPRGKRZSA-N 1 0 284.381 0.954 20 10 CCCDRO Cc1cccc(O)c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000877611653 646828124 /nfs/dbraw/zinc/82/81/24/646828124.db2.gz WVDUBCWXWGACMP-UHFFFAOYSA-N 1 0 291.395 0.906 20 10 CCCDRO C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1ccccc1O ZINC000923668195 646876274 /nfs/dbraw/zinc/87/62/74/646876274.db2.gz DNTLKRURVMAPME-QMMMGPOBSA-N 1 0 256.327 0.344 20 10 CCCDRO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1O ZINC000923668180 646876516 /nfs/dbraw/zinc/87/65/16/646876516.db2.gz DIKIIYZMPWPJGP-JTQLQIEISA-N 1 0 285.369 0.193 20 10 CCCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000883191991 647498679 /nfs/dbraw/zinc/49/86/79/647498679.db2.gz OSYBRAFVDIDDOF-NSHDSACASA-N 1 0 272.295 0.827 20 10 CCCDRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000927021447 648538824 /nfs/dbraw/zinc/53/88/24/648538824.db2.gz BREDTXKTGUNFNW-QWRGUYRKSA-N 1 0 285.365 0.375 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000188541055 649353605 /nfs/dbraw/zinc/35/36/05/649353605.db2.gz QRXIUSWXIIHXTR-UHFFFAOYSA-N 1 0 274.342 0.040 20 10 CCCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000090024671 649666309 /nfs/dbraw/zinc/66/63/09/649666309.db2.gz KYZKPJGKALLIDQ-GFCCVEGCSA-N 1 0 274.320 0.859 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001231847670 805863420 /nfs/dbraw/zinc/86/34/20/805863420.db2.gz BEXNWMBHMFYFJO-ZFWWWQNUSA-N 1 0 294.395 0.936 20 10 CCCDRO O=C1NC[C@]2(CCCN(Cc3cc(O)c(O)c(O)c3)C2)O1 ZINC001233016751 806008471 /nfs/dbraw/zinc/00/84/71/806008471.db2.gz NEQQGFYZQDPGLQ-AWEZNQCLSA-N 1 0 294.307 0.878 20 10 CCCDRO C[N@H+](C1CN(Cc2cc(O)c(O)c(O)c2)C1)[C@H]1CCOC1 ZINC001233016126 806009203 /nfs/dbraw/zinc/00/92/03/806009203.db2.gz NIDBUFBOOFMLNX-NSHDSACASA-N 1 0 294.351 0.708 20 10 CCCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)CO)c1O ZINC001233288410 806038077 /nfs/dbraw/zinc/03/80/77/806038077.db2.gz KCMYIYFMBIKWDV-JTQLQIEISA-N 1 0 275.732 0.839 20 10 CCCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CO)c1O ZINC001233288411 806039524 /nfs/dbraw/zinc/03/95/24/806039524.db2.gz KCMYIYFMBIKWDV-SNVBAGLBSA-N 1 0 275.732 0.839 20 10 CCCDRO COC(C[N@H+](C)Cc1cc(O)c(O)cc1O)OC ZINC001233485961 806060654 /nfs/dbraw/zinc/06/06/54/806060654.db2.gz RWDHVVVNPDIXIU-UHFFFAOYSA-N 1 0 257.286 0.854 20 10 CCCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485018 806061366 /nfs/dbraw/zinc/06/13/66/806061366.db2.gz GAYLGXAHHRRMMN-NSHDSACASA-N 1 0 280.324 0.904 20 10 CCCDRO COc1cccc(CN2CCNC[C@@]23CC[NH2+]C3)c1O ZINC001234981169 806326595 /nfs/dbraw/zinc/32/65/95/806326595.db2.gz HYCBALUJPIJBBB-HNNXBMFYSA-N 1 0 277.368 0.538 20 10 CCCDRO COc1cc(C)c(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061692 806364116 /nfs/dbraw/zinc/36/41/16/806364116.db2.gz NBMQAQCCZFBBLJ-INIZCTEOSA-N 1 0 291.395 0.847 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(O)cc1O ZINC001236055649 806537064 /nfs/dbraw/zinc/53/70/64/806537064.db2.gz VVHUVTSMSKNRRL-JTQLQIEISA-N 1 0 296.323 0.053 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(O)c(C)c1O ZINC001236198690 806551121 /nfs/dbraw/zinc/55/11/21/806551121.db2.gz NCVMMQRZINIWKX-MNOVXSKESA-N 1 0 280.324 0.481 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(C)cc(OC)cc1O ZINC001236200221 806552569 /nfs/dbraw/zinc/55/25/69/806552569.db2.gz IIPUESUJWBJQEM-MFKMUULPSA-N 1 0 294.351 0.784 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236300226 806563536 /nfs/dbraw/zinc/56/35/36/806563536.db2.gz XXQUSVYISLGART-STQMWFEESA-N 1 0 276.336 0.511 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(OC)cc2O)C[C@@H]1[NH3+] ZINC001236343437 806572858 /nfs/dbraw/zinc/57/28/58/806572858.db2.gz PKUBMIQFWVGNSN-RYUDHWBXSA-N 1 0 280.324 0.333 20 10 CCCDRO CCc1ccc(CN2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236356105 806585036 /nfs/dbraw/zinc/58/50/36/806585036.db2.gz REGCWBIQFYMEIQ-STQMWFEESA-N 1 0 278.352 0.887 20 10 CCCDRO Nc1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001120574357 798872097 /nfs/dbraw/zinc/87/20/97/798872097.db2.gz TUQPLJLPOOXBOB-GFCCVEGCSA-N 1 0 264.329 0.056 20 10 CCCDRO [NH3+]CCS(=O)(=O)Nc1cc(F)c(O)c(F)c1 ZINC001237647627 806705436 /nfs/dbraw/zinc/70/54/36/806705436.db2.gz YEYCLYZGIQOLFE-UHFFFAOYSA-N 1 0 252.242 0.371 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141162644 799986808 /nfs/dbraw/zinc/98/68/08/799986808.db2.gz YJIJVIWJOIZMSW-CYBMUJFWSA-N 1 0 281.308 0.862 20 10 CCCDRO C[NH+](C)CCNC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155218566 800933362 /nfs/dbraw/zinc/93/33/62/800933362.db2.gz WQRFEDVKTYTIEI-UHFFFAOYSA-N 1 0 292.291 0.496 20 10 CCCDRO CN1CCC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001255473121 808381647 /nfs/dbraw/zinc/38/16/47/808381647.db2.gz OZAATRXYEVRZMU-LLVKDONJSA-N 1 0 264.325 0.964 20 10 CCCDRO COC(=O)/C=C/c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163839227 802623658 /nfs/dbraw/zinc/62/36/58/802623658.db2.gz FYAFHTLQULSUFV-QPJJXVBHSA-N 1 0 264.325 0.630 20 10 CCCDRO COc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001203620343 803037051 /nfs/dbraw/zinc/03/70/51/803037051.db2.gz AGUNVLBLYAQBRK-AWEZNQCLSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1cccc(CN2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001203601658 803037107 /nfs/dbraw/zinc/03/71/07/803037107.db2.gz FTBGIZXMPFDQHP-UHFFFAOYSA-N 1 0 291.395 0.832 20 10 CCCDRO CN1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1=O ZINC001204273447 803074584 /nfs/dbraw/zinc/07/45/84/803074584.db2.gz BSOKMXJJTYYABM-PWSUYJOCSA-N 1 0 262.309 0.618 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204274454 803075605 /nfs/dbraw/zinc/07/56/05/803075605.db2.gz BFWRUCPUTNJQSU-UHFFFAOYSA-N 1 0 280.324 0.388 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)cc(O)c1O ZINC001204348923 803080596 /nfs/dbraw/zinc/08/05/96/803080596.db2.gz LGYSAXYBGVLMJL-QWRGUYRKSA-N 1 0 264.325 0.995 20 10 CCCDRO COc1cc(CN2CCOC[C@H]2C[NH+](C)C)cc(O)c1O ZINC001204346532 803080883 /nfs/dbraw/zinc/08/08/83/803080883.db2.gz UFRCTVBREVZQND-GFCCVEGCSA-N 1 0 296.367 0.869 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CC(F)(F)C1 ZINC001206139212 803210314 /nfs/dbraw/zinc/21/03/14/803210314.db2.gz HRGKCGDBWRWAKJ-QMMMGPOBSA-N 1 0 274.267 0.972 20 10 CCCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516579 803368000 /nfs/dbraw/zinc/36/80/00/803368000.db2.gz IKYZTVPEOQEMQH-PHIMTYICSA-N 1 0 280.324 0.318 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCN2CCNC2=S)c1O ZINC001207870081 803459968 /nfs/dbraw/zinc/45/99/68/803459968.db2.gz ZUFGGRYWHOPBPL-UHFFFAOYSA-N 1 0 295.408 0.989 20 10 CCCDRO COc1cc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc(O)c1O ZINC001219592260 804365240 /nfs/dbraw/zinc/36/52/40/804365240.db2.gz UFJWYSLUCSRRLS-WPRPVWTQSA-N 1 0 280.324 0.977 20 10 CCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220115855 804504087 /nfs/dbraw/zinc/50/40/87/804504087.db2.gz VADKRRUDLJGJGA-ZJUUUORDSA-N 1 0 298.314 0.410 20 10 CCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CN1 ZINC001246239838 807195829 /nfs/dbraw/zinc/19/58/29/807195829.db2.gz KPTIKFVVCOCCMM-RYUDHWBXSA-N 1 0 294.351 0.524 20 10 CCCDRO Oc1cccc2c1C[N@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251020067 807643753 /nfs/dbraw/zinc/64/37/53/807643753.db2.gz CLZUVJRECYDMEB-AWEZNQCLSA-N 1 0 292.379 0.443 20 10 CCCDRO CCCCOC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252498851 807895723 /nfs/dbraw/zinc/89/57/23/807895723.db2.gz NMHJCUTUNPBBON-WFASDCNBSA-N 1 0 299.367 0.898 20 10 CCCDRO CCC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001261383734 808966321 /nfs/dbraw/zinc/96/63/21/808966321.db2.gz VSTNQUUHECWAAR-UHFFFAOYSA-N 1 0 293.367 0.466 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCN1C)c1ccccc1O ZINC001263176151 809471056 /nfs/dbraw/zinc/47/10/56/809471056.db2.gz XEVYMAKUXSNAOW-ZYHUDNBSSA-N 1 0 263.341 0.473 20 10 CCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270038198 813596246 /nfs/dbraw/zinc/59/62/46/813596246.db2.gz UUJBLVZUXVGGJG-KOLCDFICSA-N 1 0 262.309 0.874 20 10 CCCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001235995685 816983971 /nfs/dbraw/zinc/98/39/71/816983971.db2.gz WMICCNFHAZEALB-ZANVPECISA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC001236348877 817277774 /nfs/dbraw/zinc/27/77/74/817277774.db2.gz NEXROECZWNXIIE-WDEREUQCSA-N 1 0 268.288 0.463 20 10 CCCDRO CCc1cccc(C[NH2+]CCNS(C)(=O)=O)c1O ZINC000709456835 819798655 /nfs/dbraw/zinc/79/86/55/819798655.db2.gz WGWPHMPJIMKVJE-UHFFFAOYSA-N 1 0 272.370 0.593 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)[C@@H](O)CCO2 ZINC001170995439 839680092 /nfs/dbraw/zinc/68/00/92/839680092.db2.gz KYMFWXMMOMOTIL-ZDUSSCGKSA-N 1 0 294.351 0.831 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1F ZINC001144500150 840067159 /nfs/dbraw/zinc/06/71/59/840067159.db2.gz PZIFDOXFRTXHAR-JOYOIKCWSA-N 1 0 257.261 0.972 20 10 CCCDRO C[C@]1(CO)C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144503738 840068492 /nfs/dbraw/zinc/06/84/92/840068492.db2.gz BJVHBBMKJOVYBS-UONOGXRCSA-N 1 0 283.324 0.369 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC001144509001 840072809 /nfs/dbraw/zinc/07/28/09/840072809.db2.gz GZPJBBDMZTZEFY-LLVKDONJSA-N 1 0 294.351 0.710 20 10 CCCDRO O=C1CN(Cc2c(O)cc(O)cc2O)C[C@H]2CCCN12 ZINC001144514836 840074567 /nfs/dbraw/zinc/07/45/67/840074567.db2.gz UPHOUOZMOOSCBE-SECBINFHSA-N 1 0 278.308 0.610 20 10 CCCDRO CC[NH+]1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1 ZINC000037272420 841665053 /nfs/dbraw/zinc/66/50/53/841665053.db2.gz FPNBOXXMVKHNEJ-UHFFFAOYSA-N 1 0 276.384 0.869 20 10 CCCDRO COc1cc(CN2CC[N@@H+]3CC[C@H]3C2)cc(O)c1O ZINC001204350478 843885391 /nfs/dbraw/zinc/88/53/91/843885391.db2.gz HSIWGYSYFUCSNQ-NSHDSACASA-N 1 0 264.325 0.996 20 10 CCCDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)cc(OC)n1 ZINC001192423881 845842063 /nfs/dbraw/zinc/84/20/63/845842063.db2.gz XGIZKWOOBFWJEI-SECBINFHSA-N 1 0 267.329 0.779 20 10 CCCDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)cc(O)c1O ZINC001193114037 845982698 /nfs/dbraw/zinc/98/26/98/845982698.db2.gz IUQFFNZKUXTEDZ-MRVPVSSYSA-N 1 0 268.313 0.786 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(Cl)c1 ZINC001205972731 848202171 /nfs/dbraw/zinc/20/21/71/848202171.db2.gz ADTIAYIXZWXAAC-DGCLKSJQSA-N 1 0 286.759 0.948 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)[C@H](C)O)c1 ZINC000717289926 848218672 /nfs/dbraw/zinc/21/86/72/848218672.db2.gz ZFONIUDLZMXOND-RVBZMBCESA-N 1 0 255.314 0.793 20 10 CCCDRO CCN(CC(=O)N1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC001326276653 913863901 /nfs/dbraw/zinc/86/39/01/913863901.db2.gz DRXMKDZLTWBQDR-UHFFFAOYSA-N 1 0 277.368 0.953 20 10 CCCDRO C[C@H]([NH2+]CCC(=O)NC(N)=O)c1ccccc1O ZINC001197002596 900060112 /nfs/dbraw/zinc/06/01/12/900060112.db2.gz BTEWKCOFVCALHU-QMMMGPOBSA-N 1 0 251.286 0.628 20 10 CCCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001303225715 908070320 /nfs/dbraw/zinc/07/03/20/908070320.db2.gz OCVHLWOCPJOPDI-LLVKDONJSA-N 1 0 250.298 0.808 20 10 CCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332127036 917883595 /nfs/dbraw/zinc/88/35/95/917883595.db2.gz FIHLAOYDYXZQBU-SECBINFHSA-N 1 0 277.324 0.040 20 10 CCCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001335290444 920097888 /nfs/dbraw/zinc/09/78/88/920097888.db2.gz WZRHGJVFCGDOCT-CYBMUJFWSA-N 1 0 283.397 0.782 20 10 CCCDRO [NH3+]CCNCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001340174098 921992889 /nfs/dbraw/zinc/99/28/89/921992889.db2.gz YVQHCUOVGSLAJZ-UHFFFAOYSA-N 1 0 276.384 0.451 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001340943741 922286927 /nfs/dbraw/zinc/28/69/27/922286927.db2.gz LGEILPWMEOIRQN-SWLSCSKDSA-N 1 0 293.411 0.927 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001340943740 922287649 /nfs/dbraw/zinc/28/76/49/922287649.db2.gz LGEILPWMEOIRQN-IUODEOHRSA-N 1 0 293.411 0.927 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242724 922397755 /nfs/dbraw/zinc/39/77/55/922397755.db2.gz RXWQPXBBAMUUOM-SWLSCSKDSA-N 1 0 288.395 0.316 20 10 CCCDRO CCN(CC[NH3+])C(=O)C(=O)N(C)Cc1ccccc1O ZINC001348448990 924691952 /nfs/dbraw/zinc/69/19/52/924691952.db2.gz XWXVLRGIBYUZST-UHFFFAOYSA-N 1 0 279.340 0.158 20 10 CCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001351577968 925439021 /nfs/dbraw/zinc/43/90/21/925439021.db2.gz FRZDQNGZGMJWII-CMPLNLGQSA-N 1 0 291.351 0.217 20 10 CCCDRO Nc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC001356083064 926341314 /nfs/dbraw/zinc/34/13/14/926341314.db2.gz JDIZKOBSFBNHOA-UHFFFAOYSA-N 1 0 274.324 0.443 20 10 CCCDRO C[NH+]1CCN(c2ccc(C[NH+]3CC(C(=O)[O-])C3)cc2)CC1 ZINC001593787227 954718982 /nfs/dbraw/zinc/71/89/82/954718982.db2.gz VQNJTJJSIMNXKT-UHFFFAOYSA-N 1 0 289.379 0.955 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCS(C)(=O)=O)cc1 ZINC000037740335 348200097 /nfs/dbraw/zinc/20/00/97/348200097.db2.gz CNUYTVGMZYWHNR-UHFFFAOYSA-N 1 0 256.371 0.887 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043799229 388870335 /nfs/dbraw/zinc/87/03/35/388870335.db2.gz CHZAZLQJBYQDJB-LBPRGKRZSA-N 1 0 250.298 0.339 20 10 CCCDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(O)c1O ZINC000295399285 389006589 /nfs/dbraw/zinc/00/65/89/389006589.db2.gz IJOJNOZZFVFUBC-LLVKDONJSA-N 1 0 294.351 0.674 20 10 CCCDRO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccccc1O ZINC000109769600 389099796 /nfs/dbraw/zinc/09/97/96/389099796.db2.gz UMFQLDAMEZMSPV-MRVPVSSYSA-N 1 0 251.286 0.407 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000363882478 262002848 /nfs/dbraw/zinc/00/28/48/262002848.db2.gz AYJYCOSJDNLHHJ-ZDUSSCGKSA-N 1 0 278.352 0.917 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCC(N)=O)cc1 ZINC000286297087 328249398 /nfs/dbraw/zinc/24/93/98/328249398.db2.gz DFZYWARKNIVITP-UHFFFAOYSA-N 1 0 292.383 0.176 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@H]2COCCN2)cc1OC ZINC000530180895 333527155 /nfs/dbraw/zinc/52/71/55/333527155.db2.gz DNVZESOCPAHRBS-NSHDSACASA-N 1 0 282.340 0.487 20 10 CCCDRO CNC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000044990620 524068965 /nfs/dbraw/zinc/06/89/65/524068965.db2.gz JVYHGTNWMFIYAH-UHFFFAOYSA-N 1 0 252.270 0.347 20 10 CCCDRO CNC(=O)CN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000036990278 524072001 /nfs/dbraw/zinc/07/20/01/524072001.db2.gz KAHCYTORAKJAMG-UHFFFAOYSA-N 1 0 277.368 0.692 20 10 CCCDRO COc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1C ZINC000778210595 581145262 /nfs/dbraw/zinc/14/52/62/581145262.db2.gz OHQMLJOGYRNAPA-UHFFFAOYSA-N 1 0 298.408 0.985 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)CO)cc1F ZINC000794748744 581387258 /nfs/dbraw/zinc/38/72/58/581387258.db2.gz QQYXTLSWUAXRAF-CYBMUJFWSA-N 1 0 256.321 0.725 20 10 CCCDRO C[NH+]1CCC(O)(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000748365060 581971723 /nfs/dbraw/zinc/97/17/23/581971723.db2.gz POJOELNZWNANJN-UHFFFAOYSA-N 1 0 270.354 0.640 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@H]2COCCO2)cc1OC ZINC000776034354 582050143 /nfs/dbraw/zinc/05/01/43/582050143.db2.gz QPEIEIUGSWZWCM-NSHDSACASA-N 1 0 283.324 0.914 20 10 CCCDRO COC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776173839 582055934 /nfs/dbraw/zinc/05/59/34/582055934.db2.gz ANRNDIFCXRHXGD-CQSZACIVSA-N 1 0 285.340 0.896 20 10 CCCDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCOC2)c1O ZINC000894358021 617175843 /nfs/dbraw/zinc/17/58/43/617175843.db2.gz BJSCPRSVSIIUPB-CQSZACIVSA-N 1 0 267.325 0.950 20 10 CCCDRO COc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)c(O)c1OC ZINC000892242819 617248330 /nfs/dbraw/zinc/24/83/30/617248330.db2.gz VVPRDFOPBAGYPR-SNVBAGLBSA-N 1 0 280.324 0.730 20 10 CCCDRO COc1ccc(CNC(=O)C2(C)C[NH2+]C2)c(O)c1 ZINC000818000180 617252743 /nfs/dbraw/zinc/25/27/43/617252743.db2.gz JEXBCEJEHDZQSX-UHFFFAOYSA-N 1 0 250.298 0.627 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)c(O)c1 ZINC000892571485 617254972 /nfs/dbraw/zinc/25/49/72/617254972.db2.gz ZZJQZDFCMLRCFB-HOMQSWHASA-N 1 0 279.340 0.937 20 10 CCCDRO COc1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000842003517 617255219 /nfs/dbraw/zinc/25/52/19/617255219.db2.gz IGQYIVZYEJJJHJ-DTWKUNHWSA-N 1 0 267.329 0.936 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000846697177 617267103 /nfs/dbraw/zinc/26/71/03/617267103.db2.gz LYZYGXRPPMKPJI-NSHDSACASA-N 1 0 265.357 0.937 20 10 CCCDRO COc1ccc(N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923317711 617267948 /nfs/dbraw/zinc/26/79/48/617267948.db2.gz FZACATXRZJFTRE-RCBQFDQVSA-N 1 0 291.395 0.668 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C[NH3+])OC)c1 ZINC000884310337 617274059 /nfs/dbraw/zinc/27/40/59/617274059.db2.gz VPDLJFQWGXHGNL-PELKAZGASA-N 1 0 268.313 0.552 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000846678201 617274115 /nfs/dbraw/zinc/27/41/15/617274115.db2.gz WNOCLFKBKKBIJI-GWCFXTLKSA-N 1 0 295.383 0.857 20 10 CCCDRO COc1cccc(CN2CCC[C@@]([NH3+])(CO)C2)c1O ZINC000904402905 617297164 /nfs/dbraw/zinc/29/71/64/617297164.db2.gz WFHFLJJZLATMNO-AWEZNQCLSA-N 1 0 266.341 0.686 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895331686 617297736 /nfs/dbraw/zinc/29/77/36/617297736.db2.gz QCGRQRJUIZZPGR-FZMZJTMJSA-N 1 0 267.325 0.718 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895331687 617297789 /nfs/dbraw/zinc/29/77/89/617297789.db2.gz QCGRQRJUIZZPGR-RISCZKNCSA-N 1 0 267.325 0.718 20 10 CCCDRO COc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1O ZINC000851672489 617299052 /nfs/dbraw/zinc/29/90/52/617299052.db2.gz OYHWQYPTQALZRL-JTQLQIEISA-N 1 0 265.313 0.562 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1O ZINC000846169441 617307544 /nfs/dbraw/zinc/30/75/44/617307544.db2.gz QTXXZGLVZXAQLS-FBIMIBRVSA-N 1 0 253.298 0.811 20 10 CCCDRO CCOc1ccc(CN2CCN(C)C[C@H]2C[NH3+])c(O)c1 ZINC000843120819 615510629 /nfs/dbraw/zinc/51/06/29/615510629.db2.gz VZJUZNMMWPIEBE-CYBMUJFWSA-N 1 0 279.384 0.866 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1 ZINC000877765077 615510650 /nfs/dbraw/zinc/51/06/50/615510650.db2.gz XFXWQTDGDWWSDE-BETUJISGSA-N 1 0 281.352 0.824 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877749655 615512226 /nfs/dbraw/zinc/51/22/26/615512226.db2.gz ZTTCEHNGSOGINT-KGLIPLIRSA-N 1 0 267.325 0.718 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000877644405 615516210 /nfs/dbraw/zinc/51/62/10/615516210.db2.gz PDXCKVSEDQCKOH-CYBMUJFWSA-N 1 0 280.368 0.899 20 10 CCCDRO CC[C@@H]([NH3+])CNC(=O)NCCc1ccc(N)cc1 ZINC000841955770 615523174 /nfs/dbraw/zinc/52/31/74/615523174.db2.gz MRWDIXKMCISNPK-LLVKDONJSA-N 1 0 250.346 0.848 20 10 CCCDRO CN(CCC[NH+](C)C)CCNC(=O)c1cccc(O)c1O ZINC000855414352 615880234 /nfs/dbraw/zinc/88/02/34/615880234.db2.gz BZGJZRVWTBRWRF-UHFFFAOYSA-N 1 0 295.383 0.711 20 10 CCCDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000834565478 615951939 /nfs/dbraw/zinc/95/19/39/615951939.db2.gz ULJFEHNKXFCPLP-OAHLLOKOSA-N 1 0 294.351 0.627 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839166093 616014274 /nfs/dbraw/zinc/01/42/74/616014274.db2.gz PJJQBOWQGVGKAB-OCCSQVGLSA-N 1 0 250.342 0.538 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000932952721 616014484 /nfs/dbraw/zinc/01/44/84/616014484.db2.gz XOXJUWAXPKCMAM-ZDUSSCGKSA-N 1 0 297.424 0.863 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839166092 616014652 /nfs/dbraw/zinc/01/46/52/616014652.db2.gz PJJQBOWQGVGKAB-JSGCOSHPSA-N 1 0 250.342 0.538 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000861549395 616015263 /nfs/dbraw/zinc/01/52/63/616015263.db2.gz HSVMKXDWPDHFOK-CYBMUJFWSA-N 1 0 292.383 0.540 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[C@@H](O)C2)cc1 ZINC000876507279 616019079 /nfs/dbraw/zinc/01/90/79/616019079.db2.gz ZSOHLKRHYNMPBH-YUTCNCBUSA-N 1 0 277.368 0.640 20 10 CCCDRO C[NH+]1CCN(CCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000854277483 616241430 /nfs/dbraw/zinc/24/14/30/616241430.db2.gz CXRKUEBYAFYHNX-UHFFFAOYSA-N 1 0 283.397 0.821 20 10 CCCDRO COCC[NH2+]CC(=O)NCc1ccc(OC)cc1O ZINC000832177733 616507918 /nfs/dbraw/zinc/50/79/18/616507918.db2.gz DRPHDDQZZMTTGZ-UHFFFAOYSA-N 1 0 268.313 0.253 20 10 CCCDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879650972 616601869 /nfs/dbraw/zinc/60/18/69/616601869.db2.gz AOOQIGWXBHRYDF-VHSXEESVSA-N 1 0 280.324 0.721 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000850483354 616918457 /nfs/dbraw/zinc/91/84/57/616918457.db2.gz YEYDVNIRUIAEOI-KWQFWETISA-N 1 0 278.308 0.718 20 10 CCCDRO C[NH2+]CCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844224779 616956480 /nfs/dbraw/zinc/95/64/80/616956480.db2.gz IEIQMDBNFPMYDW-UHFFFAOYSA-N 1 0 292.427 0.862 20 10 CCCDRO C[NH2+]CCOCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000877027598 616963134 /nfs/dbraw/zinc/96/31/34/616963134.db2.gz QAEFFIWPIZGAPZ-UHFFFAOYSA-N 1 0 265.357 0.506 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846163054 617021140 /nfs/dbraw/zinc/02/11/40/617021140.db2.gz DQOOQGHIVLJWMG-VIFPVBQESA-N 1 0 288.369 0.601 20 10 CCCDRO COC[C@@]1(C(=O)Nc2ccc(N)cc2)C[NH2+]CCO1 ZINC000876504251 617035058 /nfs/dbraw/zinc/03/50/58/617035058.db2.gz KUHITVPJNNCOOZ-CYBMUJFWSA-N 1 0 265.313 0.212 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)c1ccccc1O ZINC000870988417 617164675 /nfs/dbraw/zinc/16/46/75/617164675.db2.gz OWGKKSKQPCSHHE-NXEZZACHSA-N 1 0 252.314 0.933 20 10 CCCDRO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1O ZINC000187812312 625437524 /nfs/dbraw/zinc/43/75/24/625437524.db2.gz OJFGVQGYEDPRKB-SNVBAGLBSA-N 1 0 284.381 0.934 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1(O)CCC1 ZINC000905087511 634791978 /nfs/dbraw/zinc/79/19/78/634791978.db2.gz FTSDJZPHPAWYSS-CQSZACIVSA-N 1 0 263.337 0.987 20 10 CCCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000323611049 633939879 /nfs/dbraw/zinc/93/98/79/633939879.db2.gz BDXOHVRSYLSKBY-ZJUUUORDSA-N 1 0 273.716 0.904 20 10 CCCDRO Nc1ccc(CCNC(=O)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000911781822 636377493 /nfs/dbraw/zinc/37/74/93/636377493.db2.gz BHAWWWKSUFMYRO-HNNXBMFYSA-N 1 0 277.368 0.432 20 10 CCCDRO C[C@@]1(C(=O)NCCc2ccc(N)cc2)C[C@@H](O)C[NH2+]1 ZINC000911783247 636378048 /nfs/dbraw/zinc/37/80/48/636378048.db2.gz SBMYJDXUILOJJX-OCCSQVGLSA-N 1 0 263.341 0.040 20 10 CCCDRO Nc1ccc(CCNC(=O)c2ccn(CCC[NH3+])n2)cc1 ZINC000911781871 636378261 /nfs/dbraw/zinc/37/82/61/636378261.db2.gz CPTXNUJOPZVYLN-UHFFFAOYSA-N 1 0 287.367 0.787 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(N)(=O)=O)c1 ZINC000045066542 636878256 /nfs/dbraw/zinc/87/82/56/636878256.db2.gz DOSUJGQBXYWTOT-VIFPVBQESA-N 1 0 288.369 0.730 20 10 CCCDRO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1O ZINC000187812292 638200714 /nfs/dbraw/zinc/20/07/14/638200714.db2.gz OJFGVQGYEDPRKB-JTQLQIEISA-N 1 0 284.381 0.934 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1O ZINC000827941172 642051550 /nfs/dbraw/zinc/05/15/50/642051550.db2.gz OOOAFFXWEGVMLF-OCCSQVGLSA-N 1 0 289.379 0.959 20 10 CCCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729614 642833385 /nfs/dbraw/zinc/83/33/85/642833385.db2.gz HMUAPMBXXVYHSR-LBPRGKRZSA-N 1 0 292.383 0.670 20 10 CCCDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842257773 642885828 /nfs/dbraw/zinc/88/58/28/642885828.db2.gz HIAFMSFQOMWZPU-NSHDSACASA-N 1 0 292.383 0.174 20 10 CCCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000843058854 642981153 /nfs/dbraw/zinc/98/11/53/642981153.db2.gz ZMMYTUYNYNMPDH-OTYXRUKQSA-N 1 0 280.324 0.669 20 10 CCCDRO OC[C@@H](CCF)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846097826 643379798 /nfs/dbraw/zinc/37/97/98/643379798.db2.gz WBDMDOLXIUACIX-SECBINFHSA-N 1 0 257.261 0.931 20 10 CCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000861640128 644901259 /nfs/dbraw/zinc/90/12/59/644901259.db2.gz IVNPNNYTZROKJJ-GXFFZTMASA-N 1 0 262.357 0.861 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@H]1COCCN1 ZINC000863483861 645100043 /nfs/dbraw/zinc/10/00/43/645100043.db2.gz QLBZOUNWPQMKFJ-JTQLQIEISA-N 1 0 252.314 0.479 20 10 CCCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000872785709 646324349 /nfs/dbraw/zinc/32/43/49/646324349.db2.gz HRMFRAHDRVBSSU-UHIISALHSA-N 1 0 277.320 0.896 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1 ZINC000877364142 646803433 /nfs/dbraw/zinc/80/34/33/646803433.db2.gz KWIATNZGJJKWFI-AWEZNQCLSA-N 1 0 250.342 0.857 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC000877592043 646826231 /nfs/dbraw/zinc/82/62/31/646826231.db2.gz KOYGEBORSJQYDO-OLZOCXBDSA-N 1 0 251.326 0.876 20 10 CCCDRO O[C@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000877650262 646831474 /nfs/dbraw/zinc/83/14/74/646831474.db2.gz HRIXRXSXYMMSRN-HOTGVXAUSA-N 1 0 292.379 0.185 20 10 CCCDRO Cc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c(O)c1 ZINC000877657803 646832826 /nfs/dbraw/zinc/83/28/26/646832826.db2.gz IUXPOQCSJNSEDH-CYBMUJFWSA-N 1 0 250.342 0.857 20 10 CCCDRO C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1O ZINC000877757219 646840289 /nfs/dbraw/zinc/84/02/89/646840289.db2.gz PBAROFOUWXCWAA-JTQLQIEISA-N 1 0 289.335 0.640 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1O ZINC000879649669 647090272 /nfs/dbraw/zinc/09/02/72/647090272.db2.gz SDMGTEBLEYZMGX-MNOVXSKESA-N 1 0 293.367 0.636 20 10 CCCDRO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1O ZINC000879649272 647090294 /nfs/dbraw/zinc/09/02/94/647090294.db2.gz OTICUSSRCIXIDY-SNVBAGLBSA-N 1 0 289.335 0.640 20 10 CCCDRO O=C1NCCN1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000886324479 647965246 /nfs/dbraw/zinc/96/52/46/647965246.db2.gz SVNKSLBDUWDFCX-UHFFFAOYSA-N 1 0 279.296 0.236 20 10 CCCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000157127596 649299927 /nfs/dbraw/zinc/29/99/27/649299927.db2.gz LMTJGJQBBPKMGJ-AWEZNQCLSA-N 1 0 289.379 0.830 20 10 CCCDRO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)cc1O ZINC001231633808 805822847 /nfs/dbraw/zinc/82/28/47/805822847.db2.gz YRXHJWLHOWESAN-ABAIWWIYSA-N 1 0 294.351 0.621 20 10 CCCDRO COc1cc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)cc1O ZINC001231634589 805823027 /nfs/dbraw/zinc/82/30/27/805823027.db2.gz OXBSAEJNEXNSOM-AWEZNQCLSA-N 1 0 283.324 0.690 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001232259991 805914954 /nfs/dbraw/zinc/91/49/54/805914954.db2.gz OFYQVGUUIMIBIV-ISVAXAHUSA-N 1 0 287.743 0.926 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4C[C@@]4(C(N)=O)C3)ccc21 ZINC001277653394 805928504 /nfs/dbraw/zinc/92/85/04/805928504.db2.gz PEXGAYSWSXGNLL-MLGOLLRUSA-N 1 0 287.363 0.822 20 10 CCCDRO NC(=O)[C@H]1COCCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277657423 805932932 /nfs/dbraw/zinc/93/29/32/805932932.db2.gz QGYHVYPTYYAHMR-GFCCVEGCSA-N 1 0 292.335 0.422 20 10 CCCDRO C[N@@H+]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009802 806004671 /nfs/dbraw/zinc/00/46/71/806004671.db2.gz BMZHAEDXDAVUHY-UHFFFAOYSA-N 1 0 252.314 0.941 20 10 CCCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487005 806061442 /nfs/dbraw/zinc/06/14/42/806061442.db2.gz LEDTYRHEDMIABO-JTQLQIEISA-N 1 0 266.297 0.514 20 10 CCCDRO OC[C@@H]1C[C@H]2OCCN(Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001233483204 806060403 /nfs/dbraw/zinc/06/04/03/806060403.db2.gz QTBSKFPEVRCNDU-ZVWUFJHRSA-N 1 0 295.335 0.775 20 10 CCCDRO CN1CCC2(C[NH+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001233487586 806064865 /nfs/dbraw/zinc/06/48/65/806064865.db2.gz JWGOMXSOQDGQLV-UHFFFAOYSA-N 1 0 278.308 0.468 20 10 CCCDRO Oc1ccc(F)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052571 806355600 /nfs/dbraw/zinc/35/56/00/806355600.db2.gz GAOFXWXCDNIKRB-CQSZACIVSA-N 1 0 265.332 0.669 20 10 CCCDRO CCOc1ccc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)OC)c(O)c1 ZINC001236201551 806553811 /nfs/dbraw/zinc/55/38/11/806553811.db2.gz MNVOFXDXRGZYDK-AAEUAGOBSA-N 1 0 294.351 0.866 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccccc2O)C[C@@H]1[NH3+] ZINC001236337960 806568087 /nfs/dbraw/zinc/56/80/87/806568087.db2.gz CGVXIKISNQRFMC-QWRGUYRKSA-N 1 0 250.298 0.324 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)cc1OC ZINC001236748877 806607335 /nfs/dbraw/zinc/60/73/35/806607335.db2.gz BKEXWCAUEVBPKF-NSHDSACASA-N 1 0 283.324 0.603 20 10 CCCDRO [NH3+]CCS(=O)(=O)Nc1ccc(O)c(Br)c1 ZINC001237616987 806702319 /nfs/dbraw/zinc/70/23/19/806702319.db2.gz SWEQXFIFCONTNV-UHFFFAOYSA-N 1 0 295.158 0.855 20 10 CCCDRO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237668308 806709128 /nfs/dbraw/zinc/70/91/28/806709128.db2.gz BZXAHCRLOXPFMV-CMPLNLGQSA-N 1 0 283.324 0.194 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])CO 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OC[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156019 799985541 /nfs/dbraw/zinc/98/55/41/799985541.db2.gz CXYZDQPQPMVLIC-RNCFNFMXSA-N 1 0 253.298 0.273 20 10 CCCDRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160872085 802037406 /nfs/dbraw/zinc/03/74/06/802037406.db2.gz HEFFGYRDKRRJLX-LBPRGKRZSA-N 1 0 278.308 0.167 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc2c(c1)OCCCO2 ZINC001163836965 802622700 /nfs/dbraw/zinc/62/27/00/802622700.db2.gz OHFXVUJBAAOENL-UHFFFAOYSA-N 1 0 252.314 0.605 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001203677987 803041584 /nfs/dbraw/zinc/04/15/84/803041584.db2.gz DITGBMIVCPMACW-GWCFXTLKSA-N 1 0 276.336 0.969 20 10 CCCDRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000400148374 803764231 /nfs/dbraw/zinc/76/42/31/803764231.db2.gz AIQBWJKMWBLQPE-ZDUSSCGKSA-N 1 0 296.392 0.745 20 10 CCCDRO CCCCOC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252498845 807896249 /nfs/dbraw/zinc/89/62/49/807896249.db2.gz NMHJCUTUNPBBON-DOMZBBRYSA-N 1 0 299.367 0.898 20 10 CCCDRO CN1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256193027 808475507 /nfs/dbraw/zinc/47/55/07/808475507.db2.gz HBIVPWHKIUCVQQ-CQSZACIVSA-N 1 0 266.341 0.815 20 10 CCCDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001265873688 809881875 /nfs/dbraw/zinc/88/18/75/809881875.db2.gz ZGBFYDGKYXTOJB-VIFPVBQESA-N 1 0 293.327 0.549 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)cc1O ZINC001231634846 816027409 /nfs/dbraw/zinc/02/74/09/816027409.db2.gz AAVYJYIWBPKUGC-MRVPVSSYSA-N 1 0 266.297 0.414 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(O)cccc1Cl ZINC001236054592 817046710 /nfs/dbraw/zinc/04/67/10/817046710.db2.gz FNTCQBOKLHTWAT-NSHDSACASA-N 1 0 284.743 0.992 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2COCCN2C)c1 ZINC000700218014 818745309 /nfs/dbraw/zinc/74/53/09/818745309.db2.gz PXITYLIUKUFZTH-LBPRGKRZSA-N 1 0 266.341 0.821 20 10 CCCDRO [NH3+]C[C@@]1(C(=O)NCc2ccccc2O)CCCOC1 ZINC000710469566 819828225 /nfs/dbraw/zinc/82/82/25/819828225.db2.gz DPZHVAFHSQMRPL-AWEZNQCLSA-N 1 0 264.325 0.764 20 10 CCCDRO CC(=O)N1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001169576014 836363748 /nfs/dbraw/zinc/36/37/48/836363748.db2.gz GLEXSGFXKPQSHW-GFCCVEGCSA-N 1 0 294.351 0.946 20 10 CCCDRO OC[C@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500122 840066932 /nfs/dbraw/zinc/06/69/32/840066932.db2.gz PITRPZARMLVMSC-LBPRGKRZSA-N 1 0 257.261 0.710 20 10 CCCDRO C[C@]1(O)COCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503787 840068441 /nfs/dbraw/zinc/06/84/41/840068441.db2.gz CYFUEGPNWMTBBJ-CYBMUJFWSA-N 1 0 269.297 0.387 20 10 CCCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001144508334 840069078 /nfs/dbraw/zinc/06/90/78/840069078.db2.gz MOULDLJKGIBYCG-VXGBXAGGSA-N 1 0 292.335 0.999 20 10 CCCDRO C[NH+](C)CCN1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126392069 840252864 /nfs/dbraw/zinc/25/28/64/840252864.db2.gz NRIDJQGOSCIPLO-UHFFFAOYSA-N 1 0 293.367 0.417 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001161134823 840870908 /nfs/dbraw/zinc/87/09/08/840870908.db2.gz PDGLNIQFWFJWOA-LSDHHAIUSA-N 1 0 291.395 0.681 20 10 CCCDRO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000037241480 841648581 /nfs/dbraw/zinc/64/85/81/841648581.db2.gz ZLRHUDZHLWMLFA-NSHDSACASA-N 1 0 285.413 0.952 20 10 CCCDRO [NH3+]CC1(NC(=O)c2ccc(O)c(O)c2Cl)COC1 ZINC001193236582 846030080 /nfs/dbraw/zinc/03/00/80/846030080.db2.gz INUVOZBLJQNCTL-UHFFFAOYSA-N 1 0 272.688 0.209 20 10 CCCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)CO)CC2)cc1 ZINC001252062266 847748535 /nfs/dbraw/zinc/74/85/35/847748535.db2.gz KIEMGHLBPLBJGY-AWEZNQCLSA-N 1 0 280.368 0.561 20 10 CCCDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000717328910 848234357 /nfs/dbraw/zinc/23/43/57/848234357.db2.gz IGOZGIGBOSXQHK-WFASDCNBSA-N 1 0 280.368 0.355 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000717404008 848255748 /nfs/dbraw/zinc/25/57/48/848255748.db2.gz LBUIKXKJIHRYAV-MNOVXSKESA-N 1 0 268.357 0.974 20 10 CCCDRO C[NH+]1CCN(C2CN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC001119569609 856746332 /nfs/dbraw/zinc/74/63/32/856746332.db2.gz OWYWZLWEYJZGOK-UHFFFAOYSA-N 1 0 281.381 0.526 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2ccccc2O)C[C@H]1O ZINC001203550251 897683477 /nfs/dbraw/zinc/68/34/77/897683477.db2.gz OFXLTMQZWSMOSC-KGLIPLIRSA-N 1 0 251.326 0.957 20 10 CCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001337069565 921174314 /nfs/dbraw/zinc/17/43/14/921174314.db2.gz XDENEDOCOJZRQT-UHFFFAOYSA-N 1 0 290.411 0.664 20 10 CCCDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001295417447 906715956 /nfs/dbraw/zinc/71/59/56/906715956.db2.gz AKFUVQYRCHLNJB-CQSZACIVSA-N 1 0 282.340 0.069 20 10 CCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001330567035 916706199 /nfs/dbraw/zinc/70/61/99/916706199.db2.gz FEZIKSYIWKRRIC-PWSUYJOCSA-N 1 0 291.351 0.299 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC001339836346 921844757 /nfs/dbraw/zinc/84/47/57/921844757.db2.gz GTPRHTOEQYBSGT-ZWNOBZJWSA-N 1 0 266.341 0.567 20 10 CCCDRO [NH3+]CCNCC(=O)NCCCSc1nccs1 ZINC001340696279 922172595 /nfs/dbraw/zinc/17/25/95/922172595.db2.gz RWQYLBOJLFIKLP-UHFFFAOYSA-N 1 0 274.415 0.290 20 10 CCCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001347234903 924404226 /nfs/dbraw/zinc/40/42/26/924404226.db2.gz ROJXEAFLJWQDPN-JTQLQIEISA-N 1 0 250.298 0.808 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)c(O)c1 ZINC001353859208 925946539 /nfs/dbraw/zinc/94/65/39/925946539.db2.gz RFNPSBCWUDISSM-DYEKYZERSA-N 1 0 276.336 0.873 20 10 CCCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(N)cc1 ZINC001356083662 926342456 /nfs/dbraw/zinc/34/24/56/926342456.db2.gz XBXXTHKDOWMYIG-UHFFFAOYSA-N 1 0 250.346 0.972 20 10 CCCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001356254831 926361767 /nfs/dbraw/zinc/36/17/67/926361767.db2.gz WUKYJRGUMUWYSU-DOMZBBRYSA-N 1 0 290.411 0.562 20 10 CCCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1O ZINC000295000153 199292606 /nfs/dbraw/zinc/29/26/06/199292606.db2.gz IIYQNYCNXZKCGU-LLVKDONJSA-N 1 0 290.360 0.949 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000113503143 349813117 /nfs/dbraw/zinc/81/31/17/349813117.db2.gz PGVRJLSRFSIXHM-HNNXBMFYSA-N 1 0 291.395 0.778 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000187185681 351532868 /nfs/dbraw/zinc/53/28/68/351532868.db2.gz YCCYODMXWCQKIR-SNVBAGLBSA-N 1 0 272.370 0.900 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000190306338 351717449 /nfs/dbraw/zinc/71/74/49/351717449.db2.gz XIFWKANGOBLSRK-UHFFFAOYSA-N 1 0 271.386 0.391 20 10 CCCDRO Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000272738881 353089857 /nfs/dbraw/zinc/08/98/57/353089857.db2.gz IACYCFIZWGGFTP-UHFFFAOYSA-N 1 0 289.335 0.875 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000295974269 353926558 /nfs/dbraw/zinc/92/65/58/353926558.db2.gz ODHFHIAFGNOKIT-RLCGTCKNSA-N 1 0 253.298 0.811 20 10 CCCDRO C[N@H+](CCN1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000118947354 389138641 /nfs/dbraw/zinc/13/86/41/389138641.db2.gz OPXXQLIDBGMFEI-UHFFFAOYSA-N 1 0 294.351 0.885 20 10 CCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132914779 389228798 /nfs/dbraw/zinc/22/87/98/389228798.db2.gz DBSRCDVWZCXEDZ-UHFFFAOYSA-N 1 0 281.331 0.498 20 10 CCCDRO CCOc1cccc(C[NH2+][C@@H](CO)COC)c1O ZINC000233786207 521371891 /nfs/dbraw/zinc/37/18/91/521371891.db2.gz BPDBJQIEEPFWJQ-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO [NH3+]CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269235444 527168904 /nfs/dbraw/zinc/16/89/04/527168904.db2.gz GOEHHDZYQLLEDS-UHFFFAOYSA-N 1 0 295.358 0.752 20 10 CCCDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000280243153 527606577 /nfs/dbraw/zinc/60/65/77/527606577.db2.gz IGYFSNOWBVVGQV-PWSUYJOCSA-N 1 0 295.335 0.856 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000769226122 581678906 /nfs/dbraw/zinc/67/89/06/581678906.db2.gz SJHYYPMMMSBOMI-UHFFFAOYSA-N 1 0 279.340 0.987 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CC2(CO)COC2)c1O ZINC000894357863 617175594 /nfs/dbraw/zinc/17/55/94/617175594.db2.gz CPYTZQCMEDBVME-UHFFFAOYSA-N 1 0 267.325 0.808 20 10 CCCDRO COc1cc(Cl)cc(CN(C)C[C@H](O)C[NH3+])c1O ZINC000841092999 617196218 /nfs/dbraw/zinc/19/62/18/617196218.db2.gz PKPATQJAYUSTFE-SNVBAGLBSA-N 1 0 274.748 0.806 20 10 CCCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000839166799 617196306 /nfs/dbraw/zinc/19/63/06/617196306.db2.gz UEOIUYUECDYQIJ-GXSJLCMTSA-N 1 0 287.743 0.839 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1OC ZINC000877749444 617207712 /nfs/dbraw/zinc/20/77/12/617207712.db2.gz LOSVIWGGKMSTJY-PWSUYJOCSA-N 1 0 283.324 0.337 20 10 CCCDRO COc1ccc(C[N@@H+]2CCC(CO)(CO)C2)c(O)c1OC ZINC000895434196 617249293 /nfs/dbraw/zinc/24/92/93/617249293.db2.gz RBNYGKRLOHOJGP-UHFFFAOYSA-N 1 0 297.351 0.586 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H](O)CO)cc1Cn1cccn1 ZINC000873116346 617258258 /nfs/dbraw/zinc/25/82/58/617258258.db2.gz BZNJBQHSBMSIMW-AWEZNQCLSA-N 1 0 291.351 0.383 20 10 CCCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](C)O)CC2)cc1 ZINC000818982670 617267744 /nfs/dbraw/zinc/26/77/44/617267744.db2.gz PYWDLBUYPIGIEJ-CQSZACIVSA-N 1 0 293.411 0.788 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)cc1 ZINC000929152802 617267873 /nfs/dbraw/zinc/26/78/73/617267873.db2.gz DXRMGLFFWUTPDF-SWLSCSKDSA-N 1 0 280.368 0.559 20 10 CCCDRO COc1ccc(N2CC[C@@H](N[C@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925711907 617268030 /nfs/dbraw/zinc/26/80/30/617268030.db2.gz FTRIQTGWGAEQIE-KGLIPLIRSA-N 1 0 291.395 0.852 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000828667698 617273948 /nfs/dbraw/zinc/27/39/48/617273948.db2.gz TXEPCOQYGKKVKJ-JQWIXIFHSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1O ZINC000842003500 617298967 /nfs/dbraw/zinc/29/89/67/617298967.db2.gz IFBRTWPHPWIPEY-BDAKNGLRSA-N 1 0 267.329 0.936 20 10 CCCDRO CC(=O)c1cc(Cl)cc(CN(C)C[C@H](O)C[NH3+])c1O ZINC000842475516 614249122 /nfs/dbraw/zinc/24/91/22/614249122.db2.gz RKAXXABARBJDBI-LLVKDONJSA-N 1 0 286.759 1.000 20 10 CCCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957942 615327288 /nfs/dbraw/zinc/32/72/88/615327288.db2.gz RDLMMJYZNCHCQB-ZIAGYGMSSA-N 1 0 277.368 0.695 20 10 CCCDRO CCOc1ccc(C[NH2+][C@H]2CCNC2=O)c(O)c1 ZINC000850342537 615511220 /nfs/dbraw/zinc/51/12/20/615511220.db2.gz HEDWVWDHFUZUQJ-NSHDSACASA-N 1 0 250.298 0.769 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]CC(=O)N(C)OC)c1 ZINC000895040716 615512128 /nfs/dbraw/zinc/51/21/28/615512128.db2.gz FDNRNTRKXLLDHN-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2COC[C@@H]2O)cc1F ZINC000865666690 616006276 /nfs/dbraw/zinc/00/62/76/616006276.db2.gz SIIDAYOVPPOBIN-YPMHNXCESA-N 1 0 272.295 0.880 20 10 CCCDRO CN(C)c1ccc(/C=C/CN2CCO[C@H](C(N)=O)C2)cc1 ZINC000835028091 616011200 /nfs/dbraw/zinc/01/12/00/616011200.db2.gz PFJNSWDHAISEJV-BWPKMQGJSA-N 1 0 289.379 0.952 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1F ZINC000839180022 616016087 /nfs/dbraw/zinc/01/60/87/616016087.db2.gz PRXJOBIIEKTBON-GFCCVEGCSA-N 1 0 293.346 0.634 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000843299734 616019133 /nfs/dbraw/zinc/01/91/33/616019133.db2.gz WOIWJKWCNYBBPO-STQMWFEESA-N 1 0 290.367 0.147 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2COCCO2)cc1 ZINC000832300280 616019830 /nfs/dbraw/zinc/01/98/30/616019830.db2.gz QPZQSGGPJZTKOX-ZIAGYGMSSA-N 1 0 293.367 0.284 20 10 CCCDRO CN(CC[NH2+]Cc1ccc2c(c1)CCO2)CCOCCO ZINC000883350834 616096374 /nfs/dbraw/zinc/09/63/74/616096374.db2.gz QMAWPPCEKOIKOC-UHFFFAOYSA-N 1 0 294.395 0.652 20 10 CCCDRO C[NH+]1CCC(N(CCO)C(=O)C2=CC(=O)CS2)CC1 ZINC000911943545 616171820 /nfs/dbraw/zinc/17/18/20/616171820.db2.gz ZPBVJBKNSIOWEU-UHFFFAOYSA-N 1 0 284.381 0.982 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000877705981 616597590 /nfs/dbraw/zinc/59/75/90/616597590.db2.gz COGRZBCBOUWRJR-UHFFFAOYSA-N 1 0 266.297 0.079 20 10 CCCDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648162 616604398 /nfs/dbraw/zinc/60/43/98/616604398.db2.gz AOOQIGWXBHRYDF-ZJUUUORDSA-N 1 0 280.324 0.721 20 10 CCCDRO COCC[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883111971 616627020 /nfs/dbraw/zinc/62/70/20/616627020.db2.gz VGGRTGGWNWPLGD-JTQLQIEISA-N 1 0 255.314 0.888 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843435183 616706970 /nfs/dbraw/zinc/70/69/70/616706970.db2.gz QWQAOWQTMIGCHE-CMPLNLGQSA-N 1 0 283.299 0.887 20 10 CCCDRO COC[C@]1(C(=O)Nc2ccc(N)cc2)C[NH2+]CCO1 ZINC000876504252 616853738 /nfs/dbraw/zinc/85/37/38/616853738.db2.gz KUHITVPJNNCOOZ-ZDUSSCGKSA-N 1 0 265.313 0.212 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000863545469 616918620 /nfs/dbraw/zinc/91/86/20/616918620.db2.gz SKKGPPJFYVJZBA-PWSUYJOCSA-N 1 0 294.351 0.818 20 10 CCCDRO COC[C@@]1(C(=O)N(C)c2ccc(N)cc2)C[NH2+]CCO1 ZINC000877076698 617032258 /nfs/dbraw/zinc/03/22/58/617032258.db2.gz PBYVGVBGXFPGJW-CQSZACIVSA-N 1 0 279.340 0.237 20 10 CCCDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000090286590 624483955 /nfs/dbraw/zinc/48/39/55/624483955.db2.gz ZJGVJNDBUDIVIT-HNNXBMFYSA-N 1 0 280.368 0.356 20 10 CCCDRO NC(=O)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801559 631360187 /nfs/dbraw/zinc/36/01/87/631360187.db2.gz YUJKJGVQXPWTJD-UHFFFAOYSA-N 1 0 262.313 0.093 20 10 CCCDRO Cc1cccc(C[NH2+]CCN(C)CCOCCO)c1O ZINC000895666455 632128342 /nfs/dbraw/zinc/12/83/42/632128342.db2.gz YFNSKLXUKCMFJH-UHFFFAOYSA-N 1 0 282.384 0.731 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897059643 632384359 /nfs/dbraw/zinc/38/43/59/632384359.db2.gz CTHPVZIMIIAOJM-NSHDSACASA-N 1 0 284.381 0.811 20 10 CCCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000897684460 633229617 /nfs/dbraw/zinc/22/96/17/633229617.db2.gz PMVKJRHNJUAVFX-KWQFWETISA-N 1 0 251.282 0.934 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000922534949 639717603 /nfs/dbraw/zinc/71/76/03/639717603.db2.gz CWRGWWAXNJHEMP-OAHLLOKOSA-N 1 0 280.368 0.483 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922972073 639988149 /nfs/dbraw/zinc/98/81/49/639988149.db2.gz FPUFLAZPXMNXOC-ZDUSSCGKSA-N 1 0 277.324 0.958 20 10 CCCDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1O ZINC000828015213 642058566 /nfs/dbraw/zinc/05/85/66/642058566.db2.gz AOXZCJCYFBMMCH-GFCCVEGCSA-N 1 0 291.351 0.267 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)COCC[NH3+] ZINC000829764574 642189702 /nfs/dbraw/zinc/18/97/02/642189702.db2.gz PJFRJXQZCUDLHT-UHFFFAOYSA-N 1 0 265.357 0.653 20 10 CCCDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 ZINC000834317047 642551120 /nfs/dbraw/zinc/55/11/20/642551120.db2.gz OPVMUTQJQPDGQZ-GXFFZTMASA-N 1 0 263.341 0.386 20 10 CCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035342 642871978 /nfs/dbraw/zinc/87/19/78/642871978.db2.gz GARBTYDWSCFLMM-LLVKDONJSA-N 1 0 292.383 0.174 20 10 CCCDRO C[C@H](NC(=O)C(=O)N(C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000842203512 642881978 /nfs/dbraw/zinc/88/19/78/642881978.db2.gz UAGMSOCPSTZUOF-NSHDSACASA-N 1 0 292.383 0.347 20 10 CCCDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000850834224 643816172 /nfs/dbraw/zinc/81/61/72/643816172.db2.gz FLNKLRGRGAKTQH-SNVBAGLBSA-N 1 0 278.356 0.664 20 10 CCCDRO OCC[NH+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000862429387 644999155 /nfs/dbraw/zinc/99/91/55/644999155.db2.gz FWZLQTRPFWJOKW-UHFFFAOYSA-N 1 0 280.368 0.310 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988311 646073899 /nfs/dbraw/zinc/07/38/99/646073899.db2.gz MGRKBAYDPIWRRK-SKDRFNHKSA-N 1 0 250.298 0.558 20 10 CCCDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1Cc2cccc(O)c2C1 ZINC000871203830 646119490 /nfs/dbraw/zinc/11/94/90/646119490.db2.gz SGXKBHJVHDPERO-CQSZACIVSA-N 1 0 287.363 0.624 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCN(CC(N)=O)CC1 ZINC000876555276 646624864 /nfs/dbraw/zinc/62/48/64/646624864.db2.gz RREPYWHVBXRHGC-UHFFFAOYSA-N 1 0 263.341 0.304 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(O)c1 ZINC000877168009 646745508 /nfs/dbraw/zinc/74/55/08/646745508.db2.gz NMLQEVFKUUOZNN-LLVKDONJSA-N 1 0 275.308 0.437 20 10 CCCDRO COc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000090026370 649666326 /nfs/dbraw/zinc/66/63/26/649666326.db2.gz YRMDOHPXZMAIFU-SNVBAGLBSA-N 1 0 278.308 0.638 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259992 805914865 /nfs/dbraw/zinc/91/48/65/805914865.db2.gz OFYQVGUUIMIBIV-OQPBUACISA-N 1 0 287.743 0.926 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001232836237 805985535 /nfs/dbraw/zinc/98/55/35/805985535.db2.gz MELKKYYHXBQQOM-FZMZJTMJSA-N 1 0 266.341 0.243 20 10 CCCDRO CC(=O)N(C)[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015743 806007351 /nfs/dbraw/zinc/00/73/51/806007351.db2.gz ZZBRDNQULMWVRG-LLVKDONJSA-N 1 0 280.324 0.856 20 10 CCCDRO C[N@H+](C1CN(Cc2cc(O)c(O)c(O)c2)C1)[C@@H]1CCOC1 ZINC001233016761 806009379 /nfs/dbraw/zinc/00/93/79/806009379.db2.gz NIDBUFBOOFMLNX-LLVKDONJSA-N 1 0 294.351 0.708 20 10 CCCDRO Oc1cc(O)c(CN2CC(N3CC(F)C3)C2)cc1O ZINC001233482138 806059694 /nfs/dbraw/zinc/05/96/94/806059694.db2.gz AUVKZERBCHEUDX-UHFFFAOYSA-N 1 0 268.288 0.641 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)ccc1O ZINC001236198029 806550116 /nfs/dbraw/zinc/55/01/16/806550116.db2.gz UWNRDNWUQLLENK-JQWIXIFHSA-N 1 0 280.324 0.475 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1O ZINC001123771128 799470742 /nfs/dbraw/zinc/47/07/42/799470742.db2.gz ZNJJOIOUWGCRDA-DGCLKSJQSA-N 1 0 275.352 0.397 20 10 CCCDRO CC[N@H+](CCO)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001138718676 799749397 /nfs/dbraw/zinc/74/93/97/799749397.db2.gz OSKLWRPLNRKSAB-UHFFFAOYSA-N 1 0 282.340 0.071 20 10 CCCDRO COc1cc(CN2CCOC(=O)C2)cc(C[NH+](C)C)c1O ZINC001139259133 799799884 /nfs/dbraw/zinc/79/98/84/799799884.db2.gz JMMZENYHTIAXAW-UHFFFAOYSA-N 1 0 294.351 0.821 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN3CC(=O)C3)cc2)CC1 ZINC001139409760 799809569 /nfs/dbraw/zinc/80/95/69/799809569.db2.gz RJFOZPPTYUFACJ-UHFFFAOYSA-N 1 0 259.353 0.823 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)ccc21 ZINC001141140247 799984681 /nfs/dbraw/zinc/98/46/81/799984681.db2.gz JUPVAASVYKMGSH-UKRRQHHQSA-N 1 0 292.379 0.690 20 10 CCCDRO CN1CCOc2cc(CN3CCN(C(N)=O)CC3)ccc21 ZINC001141142990 799985720 /nfs/dbraw/zinc/98/57/20/799985720.db2.gz IZMYEFAZMQYEHI-UHFFFAOYSA-N 1 0 290.367 0.712 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001203585059 803035857 /nfs/dbraw/zinc/03/58/57/803035857.db2.gz LJMDVBJMHFHPPU-VXGBXAGGSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001203585055 803036342 /nfs/dbraw/zinc/03/63/42/803036342.db2.gz LJMDVBJMHFHPPU-NWDGAFQWSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001203620785 803037215 /nfs/dbraw/zinc/03/72/15/803037215.db2.gz IBURDXNCZVVKQF-RISCZKNCSA-N 1 0 267.325 0.576 20 10 CCCDRO CCOc1cccc(C[N@H+](C)C[C@H](O)CO)c1O ZINC001203603649 803037354 /nfs/dbraw/zinc/03/73/54/803037354.db2.gz VFOYOSNULZOPKK-NSHDSACASA-N 1 0 255.314 0.576 20 10 CCCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278154 803076333 /nfs/dbraw/zinc/07/63/33/803076333.db2.gz VQEUFBVOMYCCSE-GFCCVEGCSA-N 1 0 294.351 0.825 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204276949 803076888 /nfs/dbraw/zinc/07/68/88/803076888.db2.gz UQKZHWZCXHBOKP-KBPBESRZSA-N 1 0 267.325 0.663 20 10 CCCDRO N[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001206685285 803278374 /nfs/dbraw/zinc/27/83/74/803278374.db2.gz ZTFMDJYUBIYKSO-LLVKDONJSA-N 1 0 274.267 0.972 20 10 CCCDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001276516518 803367390 /nfs/dbraw/zinc/36/73/90/803367390.db2.gz FZTURLVDZQDNCY-GXSJLCMTSA-N 1 0 264.325 0.939 20 10 CCCDRO O=S1(=O)CCN(c2ccc(O[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001218181869 803935272 /nfs/dbraw/zinc/93/52/72/803935272.db2.gz HEZADOVTGYEOLS-AWEZNQCLSA-N 1 0 296.392 0.662 20 10 CCCDRO Nc1ccc(CC(=O)NCC[C@@H]2CCOC23C[NH2+]C3)cc1 ZINC001219803061 804426219 /nfs/dbraw/zinc/42/62/19/804426219.db2.gz JTVZKIWRQLOIMM-CYBMUJFWSA-N 1 0 289.379 0.696 20 10 CCCDRO Cn1cncc1C[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923110 804447868 /nfs/dbraw/zinc/44/78/68/804447868.db2.gz BVFSXYBTRSFRPO-LBPRGKRZSA-N 1 0 274.324 0.312 20 10 CCCDRO O=C(C[C@@H]1CCC[NH2+]C1)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489770 804613682 /nfs/dbraw/zinc/61/36/82/804613682.db2.gz GWJSWNHHZQOACP-JTQLQIEISA-N 1 0 292.335 0.786 20 10 CCCDRO CN1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001255466261 808377604 /nfs/dbraw/zinc/37/76/04/808377604.db2.gz LZYJVQFBJZHIKY-RISCZKNCSA-N 1 0 266.341 0.815 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1O ZINC000699969449 817099245 /nfs/dbraw/zinc/09/92/45/817099245.db2.gz BZUPRRZPZCCMDO-PWSUYJOCSA-N 1 0 271.338 0.294 20 10 CCCDRO CN1C[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)OCC1=O ZINC001272989000 818260714 /nfs/dbraw/zinc/26/07/14/818260714.db2.gz YFDCQUHYJNQMPS-HNNXBMFYSA-N 1 0 292.335 0.531 20 10 CCCDRO CN1CCOC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000704181300 819364919 /nfs/dbraw/zinc/36/49/19/819364919.db2.gz SUFUWPQQEHKXFF-NSHDSACASA-N 1 0 280.324 0.541 20 10 CCCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000691453244 836654918 /nfs/dbraw/zinc/65/49/18/836654918.db2.gz NTQOVNMQOMSSNC-UHFFFAOYSA-N 1 0 286.397 0.936 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001203585573 844221375 /nfs/dbraw/zinc/22/13/75/844221375.db2.gz PLIXZZFEKQPUEE-NEPJUHHUSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001203620723 844437856 /nfs/dbraw/zinc/43/78/56/844437856.db2.gz HJMUNWDPFAHFET-LLVKDONJSA-N 1 0 253.298 0.594 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CC(N3CC(F)C3)C2)c(O)c1 ZINC001144500147 840066462 /nfs/dbraw/zinc/06/64/62/840066462.db2.gz PXSJURTVWTZWAQ-UHFFFAOYSA-N 1 0 268.288 0.641 20 10 CCCDRO C[C@@]1(CO)C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144503737 840069153 /nfs/dbraw/zinc/06/91/53/840069153.db2.gz BJVHBBMKJOVYBS-KGLIPLIRSA-N 1 0 283.324 0.369 20 10 CCCDRO C[NH+](C)C1(C)CN(C(=O)CN2C(=O)CSC2=S)C1 ZINC001144844578 840158830 /nfs/dbraw/zinc/15/88/30/840158830.db2.gz WRNFWKKRACHVKL-UHFFFAOYSA-N 1 0 287.410 0.009 20 10 CCCDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(O)c(O)c(O)c1 ZINC001148583988 840854164 /nfs/dbraw/zinc/85/41/64/840854164.db2.gz JRSPSCVKWVCVOV-UHFFFAOYSA-N 1 0 280.324 0.971 20 10 CCCDRO COc1cc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206535597 843896397 /nfs/dbraw/zinc/89/63/97/843896397.db2.gz NFRCNMCIUGDNQQ-JQWIXIFHSA-N 1 0 282.340 0.161 20 10 CCCDRO CCOC[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252048596 847712822 /nfs/dbraw/zinc/71/28/22/847712822.db2.gz WHDKQFIVFWUMPR-JTQLQIEISA-N 1 0 269.297 0.268 20 10 CCCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001275419364 848716341 /nfs/dbraw/zinc/71/63/41/848716341.db2.gz WOJGBMRCKJUTBK-JSGCOSHPSA-N 1 0 264.325 0.613 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001275585060 848768580 /nfs/dbraw/zinc/76/85/80/848768580.db2.gz MJOKKCCCUXYGTC-GASCZTMLSA-N 1 0 291.395 0.973 20 10 CCCDRO COc1ccc(O)c(CN2CCC([NH2+]CCO)CC2)c1 ZINC000686281450 849067384 /nfs/dbraw/zinc/06/73/84/849067384.db2.gz GRRAIBNDEZDPQD-UHFFFAOYSA-N 1 0 280.368 0.947 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[C@]3([NH3+])C2)cc(O)c1O ZINC001236025053 903975292 /nfs/dbraw/zinc/97/52/92/903975292.db2.gz VJMVBQONILCWQO-ZANVPECISA-N 1 0 250.298 0.639 20 10 CCCDRO Nc1ccc(CNC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC001338687770 921545628 /nfs/dbraw/zinc/54/56/28/921545628.db2.gz NVLGNYSPKFHXKZ-UHFFFAOYSA-N 1 0 291.399 0.491 20 10 CCCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331636861 917467847 /nfs/dbraw/zinc/46/78/47/917467847.db2.gz GQXVMNFLVQZNLS-NXEZZACHSA-N 1 0 291.351 0.476 20 10 CCCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335713250 920390741 /nfs/dbraw/zinc/39/07/41/920390741.db2.gz LAVCMGOGCLMZDQ-JTQLQIEISA-N 1 0 289.335 0.055 20 10 CCCDRO COC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC001336123467 920622543 /nfs/dbraw/zinc/62/25/43/920622543.db2.gz CHTRDJPDZQIJIL-CQSZACIVSA-N 1 0 292.383 0.441 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)NCc1c(O)cccc1F ZINC001342538536 922995235 /nfs/dbraw/zinc/99/52/35/922995235.db2.gz ZZNUVGNOSIBWFF-QMMMGPOBSA-N 1 0 256.277 0.511 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@@H](O)C[NH3+])cc1F ZINC001343407596 923303662 /nfs/dbraw/zinc/30/36/62/923303662.db2.gz GTOZSWHVGHBFGV-SNVBAGLBSA-N 1 0 269.320 0.218 20 10 CCCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N)cc2)C1 ZINC001356227887 926356709 /nfs/dbraw/zinc/35/67/09/926356709.db2.gz LSPUJUPYYLKRDH-OCCSQVGLSA-N 1 0 263.341 0.652 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092068427 349482569 /nfs/dbraw/zinc/48/25/69/349482569.db2.gz AEEZSGGRMLHWLW-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO COC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000083385161 178393351 /nfs/dbraw/zinc/39/33/51/178393351.db2.gz YDBIBCCFXAXWDO-LBPRGKRZSA-N 1 0 251.330 0.343 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000229641448 352095005 /nfs/dbraw/zinc/09/50/05/352095005.db2.gz BOMBWKNSPGRRJE-AWEZNQCLSA-N 1 0 250.342 0.994 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000271384555 353033561 /nfs/dbraw/zinc/03/35/61/353033561.db2.gz RXWXSNWKBUALQY-LBPRGKRZSA-N 1 0 262.357 0.995 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000272022948 353034137 /nfs/dbraw/zinc/03/41/37/353034137.db2.gz XUADAMVECKVPIF-JTQLQIEISA-N 1 0 295.339 0.652 20 10 CCCDRO COc1cccc(C[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000282756437 353449540 /nfs/dbraw/zinc/44/95/40/353449540.db2.gz SXKKJMJIFMKWBZ-SECBINFHSA-N 1 0 270.304 0.965 20 10 CCCDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccc(O)c1O ZINC000298614599 389035293 /nfs/dbraw/zinc/03/52/93/389035293.db2.gz OLDVVRWDVXZJFE-LLVKDONJSA-N 1 0 294.351 0.674 20 10 CCCDRO CCOc1cccc(C[N@H+](CCO)CCCO)c1O ZINC000093323933 389036415 /nfs/dbraw/zinc/03/64/15/389036415.db2.gz VWINLDQUURBKLZ-UHFFFAOYSA-N 1 0 269.341 0.968 20 10 CCCDRO [NH3+]CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000237866242 389195267 /nfs/dbraw/zinc/19/52/67/389195267.db2.gz BHNBAUZXNPTNLZ-UHFFFAOYSA-N 1 0 263.341 0.488 20 10 CCCDRO CC(C)[N@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000133020350 389229737 /nfs/dbraw/zinc/22/97/37/389229737.db2.gz MXWMYEHHLMCIQO-UHFFFAOYSA-N 1 0 266.297 0.817 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372733909 389456017 /nfs/dbraw/zinc/45/60/17/389456017.db2.gz AFTOWFMGPGDHAV-LBPRGKRZSA-N 1 0 284.381 0.954 20 10 CCCDRO NC(=O)[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000179940926 389664489 /nfs/dbraw/zinc/66/44/89/389664489.db2.gz VHVIEFXSZDIYKX-SNVBAGLBSA-N 1 0 270.716 0.732 20 10 CCCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000181556075 389688437 /nfs/dbraw/zinc/68/84/37/389688437.db2.gz ITXKRRQHMAIZKJ-GFCCVEGCSA-N 1 0 284.381 0.906 20 10 CCCDRO COCC1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]CC1 ZINC000376560212 389738413 /nfs/dbraw/zinc/73/84/13/389738413.db2.gz DAFPOVZADFEVPN-UHFFFAOYSA-N 1 0 291.395 0.944 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@@H]2COCCN2)cc1OC ZINC000530180894 390876023 /nfs/dbraw/zinc/87/60/23/390876023.db2.gz DNVZESOCPAHRBS-LLVKDONJSA-N 1 0 282.340 0.487 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNS(C)(=O)=O)c1 ZINC000020203307 171067541 /nfs/dbraw/zinc/06/75/41/171067541.db2.gz NCXRXKXUEOXVOU-SECBINFHSA-N 1 0 288.369 0.601 20 10 CCCDRO C[C@H](O)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000159484400 261186806 /nfs/dbraw/zinc/18/68/06/261186806.db2.gz HXXWYXVYBWYBOH-LBPRGKRZSA-N 1 0 279.384 0.681 20 10 CCCDRO COc1c(O)c(C[NH2+][C@@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278329770 294904488 /nfs/dbraw/zinc/90/44/88/294904488.db2.gz HCHSBAOWAPMEAC-QMMMGPOBSA-N 1 0 297.311 0.875 20 10 CCCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000083393595 520904855 /nfs/dbraw/zinc/90/48/55/520904855.db2.gz YSCIRPJFLFJIJN-CQSZACIVSA-N 1 0 252.358 0.976 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071267133 522802320 /nfs/dbraw/zinc/80/23/20/522802320.db2.gz NYTKVXJNOQXZTE-SECBINFHSA-N 1 0 255.270 0.218 20 10 CCCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000265612552 523873034 /nfs/dbraw/zinc/87/30/34/523873034.db2.gz OILPQUHLWPXAGV-ZDUSSCGKSA-N 1 0 293.367 0.912 20 10 CCCDRO C[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276599345 523981320 /nfs/dbraw/zinc/98/13/20/523981320.db2.gz QWMHQGGAERYVKS-MRVPVSSYSA-N 1 0 268.288 0.918 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000068800172 526018650 /nfs/dbraw/zinc/01/86/50/526018650.db2.gz XYZLJLDHJUGYLC-CYBMUJFWSA-N 1 0 279.384 0.736 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C ZINC000779433393 581185080 /nfs/dbraw/zinc/18/50/80/581185080.db2.gz YJPVLLIXUCXASB-LBPRGKRZSA-N 1 0 289.335 0.745 20 10 CCCDRO CC[N@H+](CCO)CCNC(=O)C1=CC(=O)CS1 ZINC000769653914 581699229 /nfs/dbraw/zinc/69/92/29/581699229.db2.gz NFKIQWHCHGTRRT-UHFFFAOYSA-N 1 0 258.343 0.498 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCc2nnnn2C)cc1F ZINC000771871995 581822624 /nfs/dbraw/zinc/82/26/24/581822624.db2.gz ABIGJKVDAIKPTI-UHFFFAOYSA-N 1 0 278.335 0.748 20 10 CCCDRO COc1ccc(C[NH2+]CCc2nnnn2C)cc1C ZINC000771873735 581832109 /nfs/dbraw/zinc/83/21/09/581832109.db2.gz ONRWMTOPTIJDND-UHFFFAOYSA-N 1 0 261.329 0.859 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000761216029 581897324 /nfs/dbraw/zinc/89/73/24/581897324.db2.gz KTHRGQHHYAVOCA-LLVKDONJSA-N 1 0 275.308 0.437 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1 ZINC000762556382 581951122 /nfs/dbraw/zinc/95/11/22/581951122.db2.gz PXWYIIGMSFCTJM-HNNXBMFYSA-N 1 0 280.368 0.947 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(O)c1 ZINC000775995407 582048941 /nfs/dbraw/zinc/04/89/41/582048941.db2.gz PCFMGQZMLDEOSA-NWDGAFQWSA-N 1 0 267.325 0.718 20 10 CCCDRO COc1cc(C)cc(C[NH+]2CCN(CCO)CC2)c1O ZINC000915794177 617175076 /nfs/dbraw/zinc/17/50/76/617175076.db2.gz NNVRWZUFJBMBLJ-UHFFFAOYSA-N 1 0 280.368 0.819 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCS(C)(=O)=O)c1O ZINC000894207790 617175408 /nfs/dbraw/zinc/17/54/08/617175408.db2.gz YZIQZROPQDLTRE-UHFFFAOYSA-N 1 0 273.354 0.843 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1OC ZINC000877765103 617207686 /nfs/dbraw/zinc/20/76/86/617207686.db2.gz UFPDONXFMIJCST-TXEJJXNPSA-N 1 0 297.351 0.442 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H]2COC[C@H]2OC)cc1OC ZINC000839193233 617207725 /nfs/dbraw/zinc/20/77/25/617207725.db2.gz QVAHNOUFHQGFFJ-IINYFYTJSA-N 1 0 283.324 0.913 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c(O)c1 ZINC000852889051 617256527 /nfs/dbraw/zinc/25/65/27/617256527.db2.gz ATDTVZTWWNNRCE-WCQYABFASA-N 1 0 280.324 0.381 20 10 CCCDRO COc1ccc(N2CCN(C(=O)CC[NH3+])CC2)c(OC)c1 ZINC000007275261 617267648 /nfs/dbraw/zinc/26/76/48/617267648.db2.gz DFIVAKVOBGXKCZ-UHFFFAOYSA-N 1 0 293.367 0.701 20 10 CCCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCC(N)=O)C2)cc1 ZINC000819380086 617267852 /nfs/dbraw/zinc/26/78/52/617267852.db2.gz NNIDXOWLSUESCS-LBPRGKRZSA-N 1 0 277.368 0.987 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[NH3+])C2)cc1 ZINC000851664242 617268212 /nfs/dbraw/zinc/26/82/12/617268212.db2.gz UWHARTIGDXLTFU-RYUDHWBXSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C)c1 ZINC000876879720 617273858 /nfs/dbraw/zinc/27/38/58/617273858.db2.gz VMBCZJHHHPKKSV-SKDRFNHKSA-N 1 0 281.356 0.467 20 10 CCCDRO COc1ccc(O)c(CN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904402522 617272466 /nfs/dbraw/zinc/27/24/66/617272466.db2.gz QWYYNIHXKKFQHZ-AWEZNQCLSA-N 1 0 266.341 0.686 20 10 CCCDRO COc1cccc(C[N@@H+]2CCN(CCO)C[C@H]2C)c1O ZINC000825338650 617297324 /nfs/dbraw/zinc/29/73/24/617297324.db2.gz SKXYPKFLUHPLAS-GFCCVEGCSA-N 1 0 280.368 0.899 20 10 CCCDRO COc1cccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1O ZINC000901128341 617299485 /nfs/dbraw/zinc/29/94/85/617299485.db2.gz XLWZTYBGPUTTKK-NHYWBVRUSA-N 1 0 294.351 0.472 20 10 CCCDRO COc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858338414 617299799 /nfs/dbraw/zinc/29/97/99/617299799.db2.gz HBIYTWNZKURFSU-LBPRGKRZSA-N 1 0 266.341 0.557 20 10 CCCDRO COc1cccc(O)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843422228 617305412 /nfs/dbraw/zinc/30/54/12/617305412.db2.gz SUBKPOFUNLLTOF-GFCCVEGCSA-N 1 0 278.352 0.652 20 10 CCCDRO CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](O)C[NH3+])c1O ZINC000842475517 614249249 /nfs/dbraw/zinc/24/92/49/614249249.db2.gz RKAXXABARBJDBI-NSHDSACASA-N 1 0 286.759 1.000 20 10 CCCDRO CCNC(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877142578 615050328 /nfs/dbraw/zinc/05/03/28/615050328.db2.gz TXUGAYZJVRMURW-UHFFFAOYSA-N 1 0 291.395 0.873 20 10 CCCDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841059862 615991862 /nfs/dbraw/zinc/99/18/62/615991862.db2.gz XYXBWEPGGWLMFO-ZDUSSCGKSA-N 1 0 290.367 0.760 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1F ZINC000841098150 616016012 /nfs/dbraw/zinc/01/60/12/616016012.db2.gz DRTUTIIIBRGEMX-GFCCVEGCSA-N 1 0 267.348 0.970 20 10 CCCDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCNC1=O ZINC000894094713 616165037 /nfs/dbraw/zinc/16/50/37/616165037.db2.gz LWTXZBYLCYSMHX-SNVBAGLBSA-N 1 0 256.252 0.991 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906991299 616232598 /nfs/dbraw/zinc/23/25/98/616232598.db2.gz MBMIZNNWRMZUDE-UHFFFAOYSA-N 1 0 291.395 0.844 20 10 CCCDRO COCC[NH2+]CCNCc1c(O)cccc1OC ZINC000841047844 616510393 /nfs/dbraw/zinc/51/03/93/616510393.db2.gz JRYCLIOIPNBGGA-UHFFFAOYSA-N 1 0 254.330 0.726 20 10 CCCDRO COCCOCC[N@H+](CCO)Cc1ccccc1O ZINC000862468129 616541580 /nfs/dbraw/zinc/54/15/80/616541580.db2.gz CQNYNQAUJHSSHO-UHFFFAOYSA-N 1 0 269.341 0.850 20 10 CCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000858292294 616559957 /nfs/dbraw/zinc/55/99/57/616559957.db2.gz DIUQCBXYPNFWHR-UHFFFAOYSA-N 1 0 294.351 0.860 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000895702962 616561292 /nfs/dbraw/zinc/56/12/92/616561292.db2.gz IEBBWBWZUGESJV-CYBMUJFWSA-N 1 0 269.272 0.641 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000895703317 616562529 /nfs/dbraw/zinc/56/25/29/616562529.db2.gz KZZCQVNJMCJIEL-CQSZACIVSA-N 1 0 265.309 0.810 20 10 CCCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843435526 616724255 /nfs/dbraw/zinc/72/42/55/616724255.db2.gz VNXBUSYBTWVGHF-RYUDHWBXSA-N 1 0 295.335 0.757 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895702515 616785828 /nfs/dbraw/zinc/78/58/28/616785828.db2.gz POHUFZVQZFZJIQ-HNNXBMFYSA-N 1 0 295.335 0.819 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccccc1O ZINC000865707168 617012010 /nfs/dbraw/zinc/01/20/10/617012010.db2.gz NXDLTNRXAHLHLQ-UHFFFAOYSA-N 1 0 258.343 0.421 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876814010 617033706 /nfs/dbraw/zinc/03/37/06/617033706.db2.gz IAAUYXXXBRUWER-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO CCOCCOC[C@H](O)C[NH2+]Cc1ccccc1O ZINC000228414033 625399576 /nfs/dbraw/zinc/39/95/76/625399576.db2.gz CHEVMOYGEGYALH-CYBMUJFWSA-N 1 0 269.341 0.896 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H]2COCO2)c(O)c1OC ZINC000894890467 631873265 /nfs/dbraw/zinc/87/32/65/631873265.db2.gz SCWWZMTZNNEHQC-SNVBAGLBSA-N 1 0 269.297 0.872 20 10 CCCDRO NC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000054543735 633207518 /nfs/dbraw/zinc/20/75/18/633207518.db2.gz JOMNNNBKVDGXFW-QMMMGPOBSA-N 1 0 264.281 0.428 20 10 CCCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1 ZINC000185204397 638759287 /nfs/dbraw/zinc/75/92/87/638759287.db2.gz LJUQBIIYRLFGPL-SNVBAGLBSA-N 1 0 277.324 0.903 20 10 CCCDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cccc(O)c1O ZINC000841456074 638851365 /nfs/dbraw/zinc/85/13/65/638851365.db2.gz CSRXYTCHRQHRKS-WDEREUQCSA-N 1 0 294.351 0.625 20 10 CCCDRO C[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843047957 640344039 /nfs/dbraw/zinc/34/40/39/640344039.db2.gz DQSXTXATGVCHST-VIFPVBQESA-N 1 0 250.298 0.915 20 10 CCCDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)C[C@@H]21 ZINC000840134524 640860530 /nfs/dbraw/zinc/86/05/30/640860530.db2.gz XIQZJEAZMKIXLE-DGFSRKRXSA-N 1 0 290.363 0.954 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)NC(N)=O ZINC000819078539 641378809 /nfs/dbraw/zinc/37/88/09/641378809.db2.gz XSTWMCKOVSYGBA-UHFFFAOYSA-N 1 0 278.356 0.736 20 10 CCCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567535 642017567 /nfs/dbraw/zinc/01/75/67/642017567.db2.gz OHELWEQAEQIQRF-UHFFFAOYSA-N 1 0 293.367 0.115 20 10 CCCDRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203744 642882247 /nfs/dbraw/zinc/88/22/47/642882247.db2.gz XBYXNMVDGHSOOC-QWRGUYRKSA-N 1 0 292.383 0.393 20 10 CCCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868574 644033375 /nfs/dbraw/zinc/03/33/75/644033375.db2.gz JXNGPXNIVOKOBK-LBPRGKRZSA-N 1 0 291.395 0.859 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@H]1COCCN1C ZINC000858276237 644603957 /nfs/dbraw/zinc/60/39/57/644603957.db2.gz LKJJYVRQBSVSHA-NSHDSACASA-N 1 0 266.341 0.821 20 10 CCCDRO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O ZINC000858569153 644636295 /nfs/dbraw/zinc/63/62/95/644636295.db2.gz AIRICZWEDHLZBQ-JTQLQIEISA-N 1 0 299.396 0.533 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)[C@@]2(CO)CCOC2)cc1OC ZINC000862426559 644999334 /nfs/dbraw/zinc/99/93/34/644999334.db2.gz JRGTXCIPYVABRG-OAHLLOKOSA-N 1 0 297.351 0.993 20 10 CCCDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)N1CCOCC1 ZINC000876540566 646623250 /nfs/dbraw/zinc/62/32/50/646623250.db2.gz KSWCLTJQURTVFR-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO Cc1cccc(O)c1C[N@H+](CCO)CCN1CCOCC1 ZINC000876623970 646634336 /nfs/dbraw/zinc/63/43/36/646634336.db2.gz DBMULTTVPFUZDZ-UHFFFAOYSA-N 1 0 294.395 0.827 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c(O)c1 ZINC000876910750 646694401 /nfs/dbraw/zinc/69/44/01/646694401.db2.gz LHLNZLCFFKYMTC-CMPLNLGQSA-N 1 0 266.297 0.133 20 10 CCCDRO Cc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(O)c1 ZINC000877502216 646820258 /nfs/dbraw/zinc/82/02/58/646820258.db2.gz BTUMEEULWBPISB-UHFFFAOYSA-N 1 0 284.381 0.870 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000877592030 646826582 /nfs/dbraw/zinc/82/65/82/646826582.db2.gz KJXKWECVNYAXDA-AAEUAGOBSA-N 1 0 251.326 0.876 20 10 CCCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C[C@H]2CO)c1 ZINC000877644141 646831934 /nfs/dbraw/zinc/83/19/34/646831934.db2.gz MMFSHFKYFYVPRZ-ZDUSSCGKSA-N 1 0 250.342 0.809 20 10 CCCDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877667318 646833953 /nfs/dbraw/zinc/83/39/53/646833953.db2.gz MVHMXLRMCCNCTH-JKSUJKDBSA-N 1 0 292.379 0.497 20 10 CCCDRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000927021445 648539071 /nfs/dbraw/zinc/53/90/71/648539071.db2.gz BREDTXKTGUNFNW-MNOVXSKESA-N 1 0 285.365 0.375 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210959 648836854 /nfs/dbraw/zinc/83/68/54/648836854.db2.gz QTFZLHOZEASUJN-HEHGZKQESA-N 1 0 294.395 0.916 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1O ZINC000931555214 649005173 /nfs/dbraw/zinc/00/51/73/649005173.db2.gz VGBJHCFIELATTA-RISCZKNCSA-N 1 0 281.352 0.945 20 10 CCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000157127757 649299905 /nfs/dbraw/zinc/29/99/05/649299905.db2.gz LMTJGJQBBPKMGJ-CQSZACIVSA-N 1 0 289.379 0.830 20 10 CCCDRO COc1ccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c(O)c1 ZINC001277454449 805597670 /nfs/dbraw/zinc/59/76/70/805597670.db2.gz RXIFVRVHJZMKRZ-NSHDSACASA-N 1 0 262.309 0.708 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001231592186 805820398 /nfs/dbraw/zinc/82/03/98/805820398.db2.gz FRNDPWJDGUBYKZ-ZDUSSCGKSA-N 1 0 276.336 0.744 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)CCN1C ZINC001231593856 805820885 /nfs/dbraw/zinc/82/08/85/805820885.db2.gz LZEHGSQIVXAALN-CYBMUJFWSA-N 1 0 278.352 0.990 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)cc1O ZINC001231634467 805822435 /nfs/dbraw/zinc/82/24/35/805822435.db2.gz NKMKLOKGKOHREI-LSDHHAIUSA-N 1 0 297.351 0.672 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](CO)C2)c(O)cc1O ZINC001231635703 805822800 /nfs/dbraw/zinc/82/28/00/805822800.db2.gz GVDLQZLGWXWFSK-VIFPVBQESA-N 1 0 253.298 0.921 20 10 CCCDRO CN1C[C@@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1=O ZINC001233013302 806006031 /nfs/dbraw/zinc/00/60/31/806006031.db2.gz RIIZGQLQBSNRJL-ZJUUUORDSA-N 1 0 278.308 0.323 20 10 CCCDRO C[N@H+](C1CN(Cc2cc(O)c(O)cc2O)C1)[C@@H]1CCOC1 ZINC001233485774 806062345 /nfs/dbraw/zinc/06/23/45/806062345.db2.gz KIITXGFGIXVABD-LLVKDONJSA-N 1 0 294.351 0.708 20 10 CCCDRO O=C1NCC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)N1 ZINC001233487142 806064177 /nfs/dbraw/zinc/06/41/77/806064177.db2.gz RSUOYYOEYYCNOF-UHFFFAOYSA-N 1 0 293.323 0.451 20 10 CCCDRO CCOc1cccc(CN2C[C@H]([NH3+])C[C@H]2C(=O)OC)c1O ZINC001236194907 806547919 /nfs/dbraw/zinc/54/79/19/806547919.db2.gz GDOWPKJXPXYYLF-NEPJUHHUSA-N 1 0 294.351 0.866 20 10 CCCDRO C[N@H+](CCO)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001236256631 806558180 /nfs/dbraw/zinc/55/81/80/806558180.db2.gz PGOWRQZXHVTYJC-UHFFFAOYSA-N 1 0 298.408 0.346 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)c(O)cc2O)C[C@@H]1[NH3+] ZINC001236362724 806588002 /nfs/dbraw/zinc/58/80/02/806588002.db2.gz YWHVAILETXGNJP-UWVGGRQHSA-N 1 0 296.323 0.039 20 10 CCCDRO C[C@H]1CN(Cc2c(O)cc(O)cc2O)C[C@H](C)[NH2+]1 ZINC001236577999 806594401 /nfs/dbraw/zinc/59/44/01/806594401.db2.gz JPIYWTWNLWDPPC-IUCAKERBSA-N 1 0 252.314 0.986 20 10 CCCDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1 ZINC001120591932 798880389 /nfs/dbraw/zinc/88/03/89/798880389.db2.gz MUHJOZXRGGVSCI-GWCFXTLKSA-N 1 0 278.356 0.526 20 10 CCCDRO COc1cc(C[NH+]2CC(C(N)=O)C2)c(O)c(OC)c1 ZINC001237677667 806710365 /nfs/dbraw/zinc/71/03/65/806710365.db2.gz GWDPOCWHFIFJHQ-UHFFFAOYSA-N 1 0 266.297 0.327 20 10 CCCDRO C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)c1ccccc1O ZINC001122192795 799165913 /nfs/dbraw/zinc/16/59/13/799165913.db2.gz XEVYMAKUXSNAOW-CMPLNLGQSA-N 1 0 263.341 0.473 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1O ZINC001123771130 799470398 /nfs/dbraw/zinc/47/03/98/799470398.db2.gz ZNJJOIOUWGCRDA-YPMHNXCESA-N 1 0 275.352 0.397 20 10 CCCDRO CN1CCCc2cc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)ccc21 ZINC001138354455 799723432 /nfs/dbraw/zinc/72/34/32/799723432.db2.gz KKXJQNGGKCHNTG-ZBFHGGJFSA-N 1 0 276.380 0.854 20 10 CCCDRO N[C@@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]C1 ZINC001160924441 802047869 /nfs/dbraw/zinc/04/78/69/802047869.db2.gz JHKYNLAUEJQQSV-HNNXBMFYSA-N 1 0 291.351 0.063 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc(Cn2ccnc2)cc1 ZINC001163836709 802622926 /nfs/dbraw/zinc/62/29/26/802622926.db2.gz GJIKVFVDMGJZTN-UHFFFAOYSA-N 1 0 260.341 0.689 20 10 CCCDRO COCCN1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1=O ZINC001203552617 803033971 /nfs/dbraw/zinc/03/39/71/803033971.db2.gz OXVCCUPGIUKZLY-KBPBESRZSA-N 1 0 290.363 0.929 20 10 CCCDRO COc1cccc(C[NH+]2CCN(C3COC3)CC2)c1O ZINC001203586127 803036262 /nfs/dbraw/zinc/03/62/62/803036262.db2.gz ZAUYOMHISDSZBC-UHFFFAOYSA-N 1 0 278.352 0.917 20 10 CCCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001203603229 803037498 /nfs/dbraw/zinc/03/74/98/803037498.db2.gz LAGRWBZRNOKFSL-NWDGAFQWSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001203670601 803040812 /nfs/dbraw/zinc/04/08/12/803040812.db2.gz UPCVKTQJCWKVOE-MFKMUULPSA-N 1 0 253.298 0.186 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204275807 803075005 /nfs/dbraw/zinc/07/50/05/803075005.db2.gz BSBXNRRJFZSKHX-GXFFZTMASA-N 1 0 253.298 0.273 20 10 CCCDRO COc1cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)c(OC)c1 ZINC001204842790 803104170 /nfs/dbraw/zinc/10/41/70/803104170.db2.gz DSKIOSSGASUTDW-MNOVXSKESA-N 1 0 270.304 0.890 20 10 CCCDRO Cc1c(O)ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205959185 803191941 /nfs/dbraw/zinc/19/19/41/803191941.db2.gz KTQVZGXQBUVTEO-ZYHUDNBSSA-N 1 0 252.314 0.300 20 10 CCCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001206434369 803241457 /nfs/dbraw/zinc/24/14/57/803241457.db2.gz IDSKMMPTDKDPFH-DTWKUNHWSA-N 1 0 256.277 0.675 20 10 CCCDRO COc1cc(Cl)cc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206481626 803251794 /nfs/dbraw/zinc/25/17/94/803251794.db2.gz VKONLIFAIJFRJU-GXSJLCMTSA-N 1 0 286.759 0.806 20 10 CCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(O)c(O)cc1O)C2 ZINC001276516565 803368364 /nfs/dbraw/zinc/36/83/64/803368364.db2.gz HVPJHXYYEDUMPD-KOLCDFICSA-N 1 0 264.325 0.939 20 10 CCCDRO Nc1ccc(CC(=O)NCC[C@H]2CCOC23C[NH2+]C3)cc1 ZINC001219803062 804425354 /nfs/dbraw/zinc/42/53/54/804425354.db2.gz JTVZKIWRQLOIMM-ZDUSSCGKSA-N 1 0 289.379 0.696 20 10 CCCDRO N=c1cc(C[NH3+])ncn1C(=O)Cc1ccc(N)cc1 ZINC001220020466 804475247 /nfs/dbraw/zinc/47/52/47/804475247.db2.gz JPVSDVNRAJPYOD-UHFFFAOYSA-N 1 0 257.297 0.286 20 10 CCCDRO [NH3+][C@@H](CC1CCC1)C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115065 804503542 /nfs/dbraw/zinc/50/35/42/804503542.db2.gz GDRMCEIIJYNHPM-NSHDSACASA-N 1 0 294.351 0.980 20 10 CCCDRO O=C(CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(O)c(O)c1 ZINC001220490115 804613558 /nfs/dbraw/zinc/61/35/58/804613558.db2.gz UHGHAONTQMWWNI-JTQLQIEISA-N 1 0 278.308 0.539 20 10 CCCDRO C[NH+]1CCC(CO)(NC(=O)Cc2ccc(N)cc2)CC1 ZINC001221407481 804808138 /nfs/dbraw/zinc/80/81/38/804808138.db2.gz YZUNYFGFFHVSCY-UHFFFAOYSA-N 1 0 277.368 0.384 20 10 CCCDRO COc1cccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222491573 804904524 /nfs/dbraw/zinc/90/45/24/804904524.db2.gz FCIQTZSMWUPVGP-KBPBESRZSA-N 1 0 291.395 0.927 20 10 CCCDRO Cc1c(O)ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502874 804907885 /nfs/dbraw/zinc/90/78/85/804907885.db2.gz VTKRGHDHDOHGJT-KBPBESRZSA-N 1 0 291.395 0.932 20 10 CCCDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226467587 805235706 /nfs/dbraw/zinc/23/57/06/805235706.db2.gz HZOGYRPGGTZJQL-LURJTMIESA-O 1 0 274.293 0.688 20 10 CCCDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)S(C)(=O)=O ZINC000697613087 815064085 /nfs/dbraw/zinc/06/40/85/815064085.db2.gz JKTXOCVQTPMRTR-QMMMGPOBSA-N 1 0 287.337 0.644 20 10 CCCDRO Oc1ccc([C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F)cc1O ZINC001250956625 807625033 /nfs/dbraw/zinc/62/50/33/807625033.db2.gz CQHZVQORUVSMCF-UWVGGRQHSA-N 1 0 281.230 0.644 20 10 CCCDRO COC(=O)[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252428781 807845661 /nfs/dbraw/zinc/84/56/61/807845661.db2.gz VCQWGATXOHYFNL-LBPRGKRZSA-N 1 0 251.282 0.284 20 10 CCCDRO CC(C)OC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252666346 807932681 /nfs/dbraw/zinc/93/26/81/807932681.db2.gz ZTIDHSBSFWXZLT-RISCZKNCSA-N 1 0 285.340 0.507 20 10 CCCDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253712999 808127422 /nfs/dbraw/zinc/12/74/22/808127422.db2.gz YMTUAKNJSIFVQG-LBPRGKRZSA-N 1 0 283.324 0.890 20 10 CCCDRO O=C1NCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000693941434 811248347 /nfs/dbraw/zinc/24/83/47/811248347.db2.gz XVEDJURUUMNTSY-QMMMGPOBSA-N 1 0 250.254 0.099 20 10 CCCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000702571660 819146215 /nfs/dbraw/zinc/14/62/15/819146215.db2.gz BJOKRJXIQLTCDU-AWEZNQCLSA-N 1 0 250.342 0.857 20 10 CCCDRO COc1cccc(C[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000702641499 819158987 /nfs/dbraw/zinc/15/89/87/819158987.db2.gz NPQNZCWIORPGSC-CQSZACIVSA-N 1 0 266.341 0.557 20 10 CCCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001169504105 836310600 /nfs/dbraw/zinc/31/06/00/836310600.db2.gz LGIICWRGTXJOAV-NSHDSACASA-N 1 0 250.298 0.808 20 10 CCCDRO COc1cccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206088242 839471259 /nfs/dbraw/zinc/47/12/59/839471259.db2.gz XKSWZCOCJWURIK-GHMZBOCLSA-N 1 0 252.314 0.295 20 10 CCCDRO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001203621570 844441581 /nfs/dbraw/zinc/44/15/81/844441581.db2.gz XLTRVBQNPXOROP-ZWNOBZJWSA-N 1 0 253.298 0.186 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001206092706 839584536 /nfs/dbraw/zinc/58/45/36/839584536.db2.gz TXVSPZWBCCYLHC-GHMZBOCLSA-N 1 0 256.733 0.940 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)OCO2 ZINC001170995526 839681273 /nfs/dbraw/zinc/68/12/73/839681273.db2.gz PJHBBIGPIVVXFP-UHFFFAOYSA-N 1 0 266.297 0.744 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001144500643 840067556 /nfs/dbraw/zinc/06/75/56/840067556.db2.gz XJQFNHVZDXFZRI-UHFFFAOYSA-N 1 0 251.282 0.882 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC001144509240 840071529 /nfs/dbraw/zinc/07/15/29/840071529.db2.gz QARPAGORYVSFBW-UHFFFAOYSA-N 1 0 267.281 0.752 20 10 CCCDRO CN(C)C(=O)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509273 840071713 /nfs/dbraw/zinc/07/17/13/840071713.db2.gz RMEPNECRMOQDBN-UHFFFAOYSA-N 1 0 266.297 0.323 20 10 CCCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001148588125 840854346 /nfs/dbraw/zinc/85/43/46/840854346.db2.gz OXUDYFUETULUIP-MWLCHTKSSA-N 1 0 292.335 0.970 20 10 CCCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205362966 844586668 /nfs/dbraw/zinc/58/66/68/844586668.db2.gz AEVIQDNLIOXTDN-CHWSQXEVSA-N 1 0 265.357 0.265 20 10 CCCDRO CCN1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001173347937 842046392 /nfs/dbraw/zinc/04/63/92/842046392.db2.gz JXTCOTNIIFJHMZ-RISCZKNCSA-N 1 0 266.341 0.815 20 10 CCCDRO COC(=O)N1CC([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC001181032417 843390112 /nfs/dbraw/zinc/39/01/12/843390112.db2.gz PUMBDQLLDOCYTH-UHFFFAOYSA-N 1 0 296.323 0.950 20 10 CCCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874744 846890716 /nfs/dbraw/zinc/89/07/16/846890716.db2.gz CGFFJXCCVOYTTB-AWEZNQCLSA-N 1 0 262.309 0.810 20 10 CCCDRO NC(=O)CC1CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000718465331 849258764 /nfs/dbraw/zinc/25/87/64/849258764.db2.gz SILFMIYVMIOTDQ-UHFFFAOYSA-N 1 0 278.308 0.865 20 10 CCCDRO C[NH2+]C1(CNC(=O)c2cccc(O)c2O)CCC1 ZINC000386859869 853953451 /nfs/dbraw/zinc/95/34/51/853953451.db2.gz JIDKOENFZNYDIU-UHFFFAOYSA-N 1 0 250.298 0.970 20 10 CCCDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000399220581 854504053 /nfs/dbraw/zinc/50/40/53/854504053.db2.gz BSKAVCVZKTWTTR-NSHDSACASA-N 1 0 294.351 0.938 20 10 CCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC001337069558 921175990 /nfs/dbraw/zinc/17/59/90/921175990.db2.gz WWXYINXAFLEXDE-UHFFFAOYSA-N 1 0 290.411 0.792 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2CC2)cc1C ZINC001320187645 910504006 /nfs/dbraw/zinc/50/40/06/910504006.db2.gz LYHYUWFZCYTTLG-CQSZACIVSA-N 1 0 292.379 0.980 20 10 CCCDRO COc1ccc(C[NH2+]CC2(CO)COC2)c(O)c1OC ZINC001334982971 919881328 /nfs/dbraw/zinc/88/13/28/919881328.db2.gz UJSWBCKZQLHDOU-UHFFFAOYSA-N 1 0 283.324 0.508 20 10 CCCDRO Nc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC001336284630 920700825 /nfs/dbraw/zinc/70/08/25/920700825.db2.gz AYXJPKLMLGEXOB-CQSZACIVSA-N 1 0 289.379 0.732 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001339973936 921900684 /nfs/dbraw/zinc/90/06/84/921900684.db2.gz JRWPXGRDRGOZMP-RISCZKNCSA-N 1 0 264.325 0.464 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC001340917903 922276173 /nfs/dbraw/zinc/27/61/73/922276173.db2.gz RBICAMKRFPHAIC-OUJBWJOFSA-N 1 0 266.341 0.786 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC001344369901 923586820 /nfs/dbraw/zinc/58/68/20/923586820.db2.gz YDYWSUKIQIWNIP-CABZTGNLSA-N 1 0 251.330 0.448 20 10 CCCDRO COc1cccc(C[NH2+]CCCc2nnnn2C)c1O ZINC001355371130 926247387 /nfs/dbraw/zinc/24/73/87/926247387.db2.gz VQUJVQPEKWEWSV-UHFFFAOYSA-N 1 0 277.328 0.647 20 10 CCCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000230992929 352123927 /nfs/dbraw/zinc/12/39/27/352123927.db2.gz BJRXIGNCKSEQKY-UHFFFAOYSA-N 1 0 276.333 0.512 20 10 CCCDRO CC(C)(C(N)=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000271469584 353033198 /nfs/dbraw/zinc/03/31/98/353033198.db2.gz YTXNEELDFMGCHF-UHFFFAOYSA-N 1 0 277.368 0.774 20 10 CCCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000285815781 353561894 /nfs/dbraw/zinc/56/18/94/353561894.db2.gz SIEYTHZZKNTDEX-GFCCVEGCSA-N 1 0 277.368 0.734 20 10 CCCDRO COc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000288644450 353686884 /nfs/dbraw/zinc/68/68/84/353686884.db2.gz UPBLVFJLOBXLBT-GXSJLCMTSA-N 1 0 285.365 0.924 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000364327343 357109170 /nfs/dbraw/zinc/10/91/70/357109170.db2.gz YFVJMFFRLRQWLZ-WDEREUQCSA-N 1 0 253.298 0.328 20 10 CCCDRO CNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770884 283351536 /nfs/dbraw/zinc/35/15/36/283351536.db2.gz VTBOPNRXFCQWLV-UHFFFAOYSA-N 1 0 251.286 0.280 20 10 CCCDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2C1 ZINC000192532033 389042489 /nfs/dbraw/zinc/04/24/89/389042489.db2.gz YZQCAFVGVKJSIU-AOOOYVTPSA-N 1 0 262.309 0.731 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000221005214 389140112 /nfs/dbraw/zinc/14/01/12/389140112.db2.gz UOPLVVUJQKSBBU-UHFFFAOYSA-N 1 0 278.761 0.684 20 10 CCCDRO CCOCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000175966392 389550549 /nfs/dbraw/zinc/55/05/49/389550549.db2.gz ZMLGYRIHEKEJIW-UHFFFAOYSA-N 1 0 266.341 0.977 20 10 CCCDRO COc1cc(O)c(CN2CCNC(=O)C2)cc1OC ZINC000179433343 389656195 /nfs/dbraw/zinc/65/61/95/389656195.db2.gz KVAOPOYJYMRZKN-UHFFFAOYSA-N 1 0 266.297 0.341 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@H]2COCCN2)c1O ZINC000530181013 285558472 /nfs/dbraw/zinc/55/84/72/285558472.db2.gz ISJZGIBSAHFCAO-LBPRGKRZSA-N 1 0 266.341 0.869 20 10 CCCDRO COCCC[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000185733949 262068722 /nfs/dbraw/zinc/06/87/22/262068722.db2.gz QZWPFGVMQNLXLL-UHFFFAOYSA-N 1 0 282.340 0.796 20 10 CCCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1ccccc1O ZINC000126198566 519817097 /nfs/dbraw/zinc/81/70/97/519817097.db2.gz KBBSCLBSQFDABJ-AWEZNQCLSA-N 1 0 293.367 0.450 20 10 CCCDRO COc1c(O)c(C[NH2+][C@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000278524400 521883475 /nfs/dbraw/zinc/88/34/75/521883475.db2.gz SSNJDDWWENNULF-ZDUSSCGKSA-N 1 0 298.295 0.550 20 10 CCCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794710235 581384683 /nfs/dbraw/zinc/38/46/83/581384683.db2.gz KKVACXFGJYHYNP-WFASDCNBSA-N 1 0 292.335 0.515 20 10 CCCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794710234 581384931 /nfs/dbraw/zinc/38/49/31/581384931.db2.gz KKVACXFGJYHYNP-SWLSCSKDSA-N 1 0 292.335 0.515 20 10 CCCDRO CCNC(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000770509154 581749025 /nfs/dbraw/zinc/74/90/25/581749025.db2.gz IMHVXBMWTOTSJW-UHFFFAOYSA-N 1 0 277.368 0.646 20 10 CCCDRO Cn1nnnc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000771874788 581832163 /nfs/dbraw/zinc/83/21/63/581832163.db2.gz UZBFVBGXQRVFDV-UHFFFAOYSA-N 1 0 267.720 0.901 20 10 CCCDRO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000773753370 581940662 /nfs/dbraw/zinc/94/06/62/581940662.db2.gz HSWYCKYPODEZQN-OKILXGFUSA-N 1 0 250.342 0.680 20 10 CCCDRO COc1ccc(C[N@H+](CCO)CCCO)c(O)c1OC ZINC000892018984 617248929 /nfs/dbraw/zinc/24/89/29/617248929.db2.gz HNKPHMRJFCAIHO-UHFFFAOYSA-N 1 0 285.340 0.586 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c(O)c1OC ZINC000894744564 617251624 /nfs/dbraw/zinc/25/16/24/617251624.db2.gz VRHJYVSNUCOFPG-ZYHUDNBSSA-N 1 0 283.324 0.601 20 10 CCCDRO COc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c(O)c1OC ZINC000892206562 617251690 /nfs/dbraw/zinc/25/16/90/617251690.db2.gz VEAFBRLEQVPDAZ-PHIMTYICSA-N 1 0 283.324 0.337 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(O)c1 ZINC000842003516 617254856 /nfs/dbraw/zinc/25/48/56/617254856.db2.gz IGQYIVZYEJJJHJ-BDAKNGLRSA-N 1 0 267.329 0.936 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)c(O)c1 ZINC000841947418 617254920 /nfs/dbraw/zinc/25/49/20/617254920.db2.gz ORYDGJOFMAAOQP-LBPRGKRZSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)c(O)c1 ZINC000876910966 617256626 /nfs/dbraw/zinc/25/66/26/617256626.db2.gz QZRYRNCZXBTXMI-HNNXBMFYSA-N 1 0 294.351 0.773 20 10 CCCDRO COc1ccc(C[NH2+]CC(=O)NC2CC2)c(O)c1OC ZINC000894501433 617257478 /nfs/dbraw/zinc/25/74/78/617257478.db2.gz UGMHUVITQZXYHZ-UHFFFAOYSA-N 1 0 280.324 0.778 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@@H](C)O)CC2)cc1 ZINC000929152801 617267764 /nfs/dbraw/zinc/26/77/64/617267764.db2.gz DXRMGLFFWUTPDF-IUODEOHRSA-N 1 0 280.368 0.559 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[NH2+]3)C2)cc1 ZINC000818613622 617268018 /nfs/dbraw/zinc/26/80/18/617268018.db2.gz VRIZQEVFXCCOBJ-SWLSCSKDSA-N 1 0 289.379 1.000 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[NH3+])C2)cc1 ZINC000851663153 617268239 /nfs/dbraw/zinc/26/82/39/617268239.db2.gz UWHARTIGDXLTFU-NEPJUHHUSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)CCOC2C[NH2+]C2)c1 ZINC000828667796 617273964 /nfs/dbraw/zinc/27/39/64/617273964.db2.gz UVWSUCVAEHSMGX-SNVBAGLBSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cnnn2)c1 ZINC000878359940 617274366 /nfs/dbraw/zinc/27/43/66/617274366.db2.gz FEMKYGAOOSBWIM-VIFPVBQESA-N 1 0 263.301 0.738 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000827474896 617272470 /nfs/dbraw/zinc/27/24/70/617272470.db2.gz NXNLXCWZUNSTTD-UHFFFAOYSA-N 1 0 267.325 0.578 20 10 CCCDRO COc1ccc(O)c(CN2CCOC3(C[NH2+]C3)C2)c1 ZINC000853248368 617273013 /nfs/dbraw/zinc/27/30/13/617273013.db2.gz DRRWUHHQQJGOHI-UHFFFAOYSA-N 1 0 264.325 0.575 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2CCc3nnnn3CC2)c1O ZINC000817419639 617300295 /nfs/dbraw/zinc/30/02/95/617300295.db2.gz VNPQTZUIEPPJNK-NSHDSACASA-N 1 0 289.339 0.882 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1O ZINC000846143710 617307581 /nfs/dbraw/zinc/30/75/81/617307581.db2.gz FXGLXWHXBSYLFM-MNOVXSKESA-N 1 0 268.357 0.974 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1O ZINC000846170689 617309219 /nfs/dbraw/zinc/30/92/19/617309219.db2.gz YSIQLXXSDJOJHN-QWRGUYRKSA-N 1 0 292.339 0.704 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000842252877 614586139 /nfs/dbraw/zinc/58/61/39/614586139.db2.gz GFNPGZVICMOOKF-LLVKDONJSA-N 1 0 293.367 0.594 20 10 CCCDRO CC[NH+]1CCN(CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910951947 615155360 /nfs/dbraw/zinc/15/53/60/615155360.db2.gz ZCQUMUUSRGZESN-UHFFFAOYSA-N 1 0 293.367 0.352 20 10 CCCDRO CCON(C)C(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846063923 615337031 /nfs/dbraw/zinc/33/70/31/615337031.db2.gz YIBPJQLBUYVIGO-UHFFFAOYSA-N 1 0 282.296 0.620 20 10 CCCDRO CCOc1ccc(O)c(CN2CCOC3(C[NH2+]C3)C2)c1 ZINC000853248709 615512030 /nfs/dbraw/zinc/51/20/30/615512030.db2.gz ISYKAYYBASGNTP-UHFFFAOYSA-N 1 0 278.352 0.965 20 10 CCCDRO CCOc1cccc(CN2CCN(C)C[C@@H]2C[NH3+])c1O ZINC000124278661 615516215 /nfs/dbraw/zinc/51/62/15/615516215.db2.gz QUWIGEMDWJCKMD-ZDUSSCGKSA-N 1 0 279.384 0.866 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000886243236 616015829 /nfs/dbraw/zinc/01/58/29/616015829.db2.gz SDIAYZNVGXTYLX-OJNYZHBWSA-N 1 0 268.332 0.866 20 10 CCCDRO CN(C)c1ccc([C@H](CN2C(=O)CNC2=O)[NH+](C)C)cc1 ZINC000900185580 616019320 /nfs/dbraw/zinc/01/93/20/616019320.db2.gz OUVJOPUPMXRPRF-ZDUSSCGKSA-N 1 0 290.367 0.907 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)cn2)cc1 ZINC000832267310 616019366 /nfs/dbraw/zinc/01/93/66/616019366.db2.gz QBCYXNHNKKMFDA-ZDUSSCGKSA-N 1 0 287.367 0.916 20 10 CCCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000826967509 616497929 /nfs/dbraw/zinc/49/79/29/616497929.db2.gz UVBLUCPIFIJWEA-WCQYABFASA-N 1 0 281.308 0.821 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895702516 616560854 /nfs/dbraw/zinc/56/08/54/616560854.db2.gz POHUFZVQZFZJIQ-OAHLLOKOSA-N 1 0 295.335 0.819 20 10 CCCDRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111235456 616601152 /nfs/dbraw/zinc/60/11/52/616601152.db2.gz GMIBLZYTQTUDNB-SNVBAGLBSA-N 1 0 280.324 0.502 20 10 CCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000841892116 616606471 /nfs/dbraw/zinc/60/64/71/616606471.db2.gz FDUJBVQGMHNCER-GFCCVEGCSA-N 1 0 292.335 0.646 20 10 CCCDRO CNC(=O)NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349887 616709427 /nfs/dbraw/zinc/70/94/27/616709427.db2.gz LSLSDBAQFUFJJK-JTQLQIEISA-N 1 0 290.367 0.742 20 10 CCCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(OC)c1O ZINC000846052983 616814226 /nfs/dbraw/zinc/81/42/26/616814226.db2.gz KNSYTFWUGMAVMI-VXGBXAGGSA-N 1 0 267.325 0.982 20 10 CCCDRO C[NH2+]CCOCCNC(=O)N(C)Cc1ccccc1O ZINC000861676476 616965658 /nfs/dbraw/zinc/96/56/58/616965658.db2.gz FKKBLMDDEJCMFD-UHFFFAOYSA-N 1 0 281.356 0.770 20 10 CCCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000825024561 617149262 /nfs/dbraw/zinc/14/92/62/617149262.db2.gz RCMRZQOTVZLJEO-GHMZBOCLSA-N 1 0 298.295 0.501 20 10 CCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(N)cc1 ZINC000892038688 625042529 /nfs/dbraw/zinc/04/25/29/625042529.db2.gz HKUJDLMZWJPVLB-MFKMUULPSA-N 1 0 262.357 0.942 20 10 CCCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1(O)CCOCC1 ZINC000905086633 634790721 /nfs/dbraw/zinc/79/07/21/634790721.db2.gz FHMSNSJSZNDTMJ-HNNXBMFYSA-N 1 0 293.363 0.614 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@]1(O)CCOC1 ZINC000905091087 634791837 /nfs/dbraw/zinc/79/18/37/634791837.db2.gz XJQISIJYOFQVCE-GOEBONIOSA-N 1 0 293.363 0.614 20 10 CCCDRO C[NH2+]CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000237214195 631937571 /nfs/dbraw/zinc/93/75/71/631937571.db2.gz VJFHPWZPZPUCJV-UHFFFAOYSA-N 1 0 277.368 1.000 20 10 CCCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1 ZINC000927027272 633578188 /nfs/dbraw/zinc/57/81/88/633578188.db2.gz SUNJNMYNYGPEOA-GHMZBOCLSA-N 1 0 287.381 0.757 20 10 CCCDRO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557467 638233958 /nfs/dbraw/zinc/23/39/58/638233958.db2.gz KBXMHXGJBCUPGE-LBPRGKRZSA-N 1 0 284.381 0.906 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000068980889 638282957 /nfs/dbraw/zinc/28/29/57/638282957.db2.gz ZENOWQDTWWZVKT-UHFFFAOYSA-N 1 0 284.381 0.650 20 10 CCCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000830597485 642274574 /nfs/dbraw/zinc/27/45/74/642274574.db2.gz LAHJBHVOLPBNCS-HNNXBMFYSA-N 1 0 290.363 0.876 20 10 CCCDRO [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048255 642981336 /nfs/dbraw/zinc/98/13/36/642981336.db2.gz UXCZMOVLKDWPFM-GFCCVEGCSA-N 1 0 295.358 0.818 20 10 CCCDRO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000852859734 644027484 /nfs/dbraw/zinc/02/74/84/644027484.db2.gz YPVMPZCCKLDXMW-HDJSIYSDSA-N 1 0 289.379 0.877 20 10 CCCDRO O[C@H]1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000858339196 644609773 /nfs/dbraw/zinc/60/97/73/644609773.db2.gz RHHWEOBPDDOOFB-AWEZNQCLSA-N 1 0 262.353 0.778 20 10 CCCDRO Nc1ccc(CCNC(=O)NCCOCCC[NH3+])cc1 ZINC000861640457 644901134 /nfs/dbraw/zinc/90/11/34/644901134.db2.gz LVPHSNJCKRCXEY-UHFFFAOYSA-N 1 0 280.372 0.476 20 10 CCCDRO O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]12 ZINC000862545455 645005608 /nfs/dbraw/zinc/00/56/08/645005608.db2.gz SUCNGDZTAHBUPV-NXEZZACHSA-N 1 0 277.276 0.726 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865739891 645409826 /nfs/dbraw/zinc/40/98/26/645409826.db2.gz XIDWNSYGTYCBNC-XHDPSFHLSA-N 1 0 298.358 0.494 20 10 CCCDRO O=C(NCc1ccccc1O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876877732 646688827 /nfs/dbraw/zinc/68/88/27/646688827.db2.gz FXBWZDIMGSBDIM-PWSUYJOCSA-N 1 0 252.289 0.956 20 10 CCCDRO O=C(NCc1ccccc1O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876877730 646689010 /nfs/dbraw/zinc/68/90/10/646689010.db2.gz FXBWZDIMGSBDIM-CMPLNLGQSA-N 1 0 252.289 0.956 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000877592033 646826479 /nfs/dbraw/zinc/82/64/79/646826479.db2.gz KJXKWECVNYAXDA-YPMHNXCESA-N 1 0 251.326 0.876 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1C ZINC000877748971 646837911 /nfs/dbraw/zinc/83/79/11/646837911.db2.gz OCFBAMKXBHPDRD-OCCSQVGLSA-N 1 0 251.326 0.937 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1CO ZINC000877765263 646840789 /nfs/dbraw/zinc/84/07/89/646840789.db2.gz YTXKZMIKERZQEJ-PHIMTYICSA-N 1 0 255.289 0.564 20 10 CCCDRO O=S(=O)(NCc1c(O)cccc1F)[C@H]1CCC[NH2+]C1 ZINC000923676519 646939181 /nfs/dbraw/zinc/93/91/81/646939181.db2.gz JBBZQDWEKJQMJJ-VIFPVBQESA-N 1 0 288.344 0.703 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1O ZINC000879647608 647089984 /nfs/dbraw/zinc/08/99/84/647089984.db2.gz GCGCGGJRYNENAS-SNVBAGLBSA-N 1 0 277.324 0.001 20 10 CCCDRO C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccccc1O ZINC000879652148 647090206 /nfs/dbraw/zinc/09/02/06/647090206.db2.gz WLWBXBORTDHTOE-JTQLQIEISA-N 1 0 277.324 0.985 20 10 CCCDRO Cn1ccn2c(CC[NH2+]Cc3ccccc3O)nnc2c1=O ZINC000886285357 647954648 /nfs/dbraw/zinc/95/46/48/647954648.db2.gz GXRZCGSKUXHLKO-UHFFFAOYSA-N 1 0 299.334 0.466 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001231590689 805819758 /nfs/dbraw/zinc/81/97/58/805819758.db2.gz DTMXFARJWNKKHI-QWHCGFSZSA-N 1 0 251.326 0.876 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)C2)c(O)cc1O ZINC001231635702 805822273 /nfs/dbraw/zinc/82/22/73/805822273.db2.gz GVDLQZLGWXWFSK-SECBINFHSA-N 1 0 253.298 0.921 20 10 CCCDRO Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001231842154 805861589 /nfs/dbraw/zinc/86/15/89/805861589.db2.gz KHOCCEUESVBSKY-BXUZGUMPSA-N 1 0 251.326 0.794 20 10 CCCDRO Oc1cc(O)c(CN2CCN([C@@H]3CCOC3)CC2)cc1O ZINC001233482474 806058529 /nfs/dbraw/zinc/05/85/29/806058529.db2.gz OVHXUNFPRMYMRI-GFCCVEGCSA-N 1 0 294.351 0.710 20 10 CCCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487201 806064509 /nfs/dbraw/zinc/06/45/09/806064509.db2.gz UOHUEJDNCYDQMA-NSHDSACASA-N 1 0 280.324 0.856 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC001236351464 806582032 /nfs/dbraw/zinc/58/20/32/806582032.db2.gz USFCNESUFPSJHG-GXSJLCMTSA-N 1 0 284.743 0.978 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(C)cc(C)cc2O)C[C@@H]1[NH3+] ZINC001236356768 806585669 /nfs/dbraw/zinc/58/56/69/806585669.db2.gz RPLLGEJGKYDMKS-OLZOCXBDSA-N 1 0 278.352 0.941 20 10 CCCDRO COC(=O)[C@@H]1CN(C)CCN1Cc1cccc(F)c1O ZINC001138131048 799702820 /nfs/dbraw/zinc/70/28/20/799702820.db2.gz OCIXXMJMYFPVIY-LBPRGKRZSA-N 1 0 282.315 0.820 20 10 CCCDRO CNC(=O)CN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256285 799800457 /nfs/dbraw/zinc/80/04/57/799800457.db2.gz XYGRSHOTSVHSQD-UHFFFAOYSA-N 1 0 295.383 0.640 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCN1C ZINC001140747846 799940039 /nfs/dbraw/zinc/94/00/39/799940039.db2.gz NAXQJQYCYRIDIT-GFCCVEGCSA-N 1 0 294.351 0.695 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156124 799984931 /nfs/dbraw/zinc/98/49/31/799984931.db2.gz FZRUFVSRKGLSHN-KGLIPLIRSA-N 1 0 267.325 0.663 20 10 CCCDRO C[NH+]1CCN(C2CN(Cc3cc(O)ccc3O)C2)CC1 ZINC001141162040 799986952 /nfs/dbraw/zinc/98/69/52/799986952.db2.gz JYGAFJNDSRBBAX-UHFFFAOYSA-N 1 0 277.368 0.529 20 10 CCCDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001141654681 800028192 /nfs/dbraw/zinc/02/81/92/800028192.db2.gz VEAJVBURUVGNSN-GFCCVEGCSA-N 1 0 294.351 0.213 20 10 CCCDRO O=C(CCc1ccc(O)c(O)c1)N1CC[C@@H]2[NH2+]CC[C@H]21 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COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001262372990 809294006 /nfs/dbraw/zinc/29/40/06/809294006.db2.gz JAEVSLOTPYNYOG-NWDGAFQWSA-N 1 0 297.351 0.991 20 10 CCCDRO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(N)cc1 ZINC001263303894 809505574 /nfs/dbraw/zinc/50/55/74/809505574.db2.gz MOBQKQJIIQZMSY-GFCCVEGCSA-N 1 0 250.346 0.164 20 10 CCCDRO O=C(C[NH2+]Cc1cc(F)ccc1O)N1CCOCC1 ZINC000388685713 809664358 /nfs/dbraw/zinc/66/43/58/809664358.db2.gz RMHNGTPKFZHMDH-UHFFFAOYSA-N 1 0 268.288 0.480 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(CO)C2)c(OC)c1 ZINC001141028069 811667849 /nfs/dbraw/zinc/66/78/49/811667849.db2.gz AADYRKRVVPWSQA-UHFFFAOYSA-N 1 0 253.298 0.834 20 10 CCCDRO OC[C@H]1C[C@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483162 816324127 /nfs/dbraw/zinc/32/41/27/816324127.db2.gz PJWBCMUKSOZJRH-WPRPVWTQSA-N 1 0 271.288 0.956 20 10 CCCDRO COc1cc(O)c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1OC ZINC001236026877 817009530 /nfs/dbraw/zinc/00/95/30/817009530.db2.gz MUGIEKUFIKMYEH-QMTHXVAHSA-N 1 0 264.325 0.942 20 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1 0 286.397 0.984 20 10 CCCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504587 840068389 /nfs/dbraw/zinc/06/83/89/840068389.db2.gz WBBCFAIEKFOLNM-MRVPVSSYSA-N 1 0 267.281 0.798 20 10 CCCDRO CCOC(=O)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509453 840072259 /nfs/dbraw/zinc/07/22/59/840072259.db2.gz XAAYTSKOPALJJJ-UHFFFAOYSA-N 1 0 267.281 0.798 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1O ZINC001205351986 844547351 /nfs/dbraw/zinc/54/73/51/844547351.db2.gz CHITVIRCKGANFP-MWLCHTKSSA-N 1 0 287.157 0.659 20 10 CCCDRO N=c1ncc(C[NH3+])cn1C(=O)CCc1ccc(O)c(O)c1 ZINC001182157491 843738706 /nfs/dbraw/zinc/73/87/06/843738706.db2.gz RWDVZDRXRPSYMJ-UHFFFAOYSA-N 1 0 288.307 0.505 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001195213763 846481991 /nfs/dbraw/zinc/48/19/91/846481991.db2.gz HUCYEXJBLBKBBF-UKRRQHHQSA-N 1 0 264.369 0.928 20 10 CCCDRO CN(CC[N@H+](C)CCO)C(=O)c1cccc(O)c1O ZINC000691249592 855583435 /nfs/dbraw/zinc/58/34/35/855583435.db2.gz KDZBGPYSEDCKFC-UHFFFAOYSA-N 1 0 268.313 0.094 20 10 CCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC001325744293 913557184 /nfs/dbraw/zinc/55/71/84/913557184.db2.gz UFJQPYGFTPZTJL-LLVKDONJSA-N 1 0 291.351 0.171 20 10 CCCDRO C[N@@H+]1CCC2(CN(Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112753 900996333 /nfs/dbraw/zinc/99/63/33/900996333.db2.gz OLNJNPMQJQMMQX-UHFFFAOYSA-N 1 0 264.325 0.941 20 10 CCCDRO NC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001319931759 910359418 /nfs/dbraw/zinc/35/94/18/910359418.db2.gz CIGFUNCVIOJIBC-ZDUSSCGKSA-N 1 0 292.335 0.515 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001339973937 921900144 /nfs/dbraw/zinc/90/01/44/921900144.db2.gz JRWPXGRDRGOZMP-SMDDNHRTSA-N 1 0 264.325 0.464 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001340790510 922220297 /nfs/dbraw/zinc/22/02/97/922220297.db2.gz LVXQBOJMFDNRDJ-SMDDNHRTSA-N 1 0 279.384 0.585 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC001340917900 922273889 /nfs/dbraw/zinc/27/38/89/922273889.db2.gz RBICAMKRFPHAIC-KWBADKCTSA-N 1 0 266.341 0.786 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)cc1 ZINC001341631021 922591712 /nfs/dbraw/zinc/59/17/12/922591712.db2.gz YPEYEEQTCFVADS-ZFWWWQNUSA-N 1 0 277.368 0.482 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H](O)C[NH3+] ZINC001343214313 923239534 /nfs/dbraw/zinc/23/95/34/923239534.db2.gz SUFGQUAVCHKTPI-LBPRGKRZSA-N 1 0 266.341 0.841 20 10 CCCDRO O=c1[nH]ccn2c(C[NH2+][C@H]3CCc4cccc(O)c43)nnc12 ZINC001350087220 925128388 /nfs/dbraw/zinc/12/83/88/925128388.db2.gz ZOGSUZANCZRAPZ-JTQLQIEISA-N 1 0 297.318 0.900 20 10 CCCDRO CN(C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccc(N)cc1 ZINC001354437996 926109649 /nfs/dbraw/zinc/10/96/49/926109649.db2.gz VLVGVUYSPHASEL-SNVBAGLBSA-N 1 0 288.351 0.052 20 10 CCCDRO Nc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC001356083620 926342319 /nfs/dbraw/zinc/34/23/19/926342319.db2.gz VRJAXVUWNOJLBW-LLVKDONJSA-N 1 0 255.343 0.132 20 10 CCCDRO COCCOC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000294973481 199277476 /nfs/dbraw/zinc/27/74/76/199277476.db2.gz OOMOKILQRPKMAC-CYBMUJFWSA-N 1 0 269.341 0.848 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000020086657 348076542 /nfs/dbraw/zinc/07/65/42/348076542.db2.gz LDCZJTAVCMTTPL-JTQLQIEISA-N 1 0 271.338 0.678 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000364575540 357121149 /nfs/dbraw/zinc/12/11/49/357121149.db2.gz AYWGCTFSSSBUOI-ZFWWWQNUSA-N 1 0 259.353 0.927 20 10 CCCDRO COCC[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000294826103 388993052 /nfs/dbraw/zinc/99/30/52/388993052.db2.gz HDZPXHSTNIGFPC-UHFFFAOYSA-N 1 0 286.303 0.545 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000278310557 389559405 /nfs/dbraw/zinc/55/94/05/389559405.db2.gz SXCJWXNWJXHXNM-LBPRGKRZSA-N 1 0 293.367 0.842 20 10 CCCDRO CN1CCO[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180724212 389673979 /nfs/dbraw/zinc/67/39/79/389673979.db2.gz BTHWJVAZQXDYAD-PYEVWLCESA-N 1 0 292.335 0.558 20 10 CCCDRO CC(C)NC(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879789 174901522 /nfs/dbraw/zinc/90/15/22/174901522.db2.gz JNNMXJQQXMRERX-UHFFFAOYSA-N 1 0 266.297 0.735 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000130430283 522190825 /nfs/dbraw/zinc/19/08/25/522190825.db2.gz GXBHXQWZTZQOKI-CYBMUJFWSA-N 1 0 277.368 0.747 20 10 CCCDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc(N)cc1 ZINC000262684058 523576973 /nfs/dbraw/zinc/57/69/73/523576973.db2.gz XCUWXSQAZKSNAW-UHFFFAOYSA-N 1 0 279.384 0.896 20 10 CCCDRO COCCN1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000264618441 523867142 /nfs/dbraw/zinc/86/71/42/523867142.db2.gz RBLJKRKVBSBZRK-GFCCVEGCSA-N 1 0 294.351 0.931 20 10 CCCDRO CNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278873843 524074760 /nfs/dbraw/zinc/07/47/60/524074760.db2.gz NGBZPYFBCCEVLP-UHFFFAOYSA-N 1 0 269.257 0.145 20 10 CCCDRO C[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855888 524985353 /nfs/dbraw/zinc/98/53/53/524985353.db2.gz MUNDELMPBLIOFL-GFCCVEGCSA-N 1 0 277.368 0.829 20 10 CCCDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccccc1O ZINC000275590093 526310116 /nfs/dbraw/zinc/31/01/16/526310116.db2.gz GDLIEYXOJPPWKB-UHFFFAOYSA-N 1 0 293.367 0.914 20 10 CCCDRO CCN1CC(=O)N[C@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788691511 581122899 /nfs/dbraw/zinc/12/28/99/581122899.db2.gz QIFKCFXJOMAEIK-MRXNPFEDSA-N 1 0 288.395 0.889 20 10 CCCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000734016887 581540625 /nfs/dbraw/zinc/54/06/25/581540625.db2.gz LNOHDNDSQUASGD-SNVBAGLBSA-N 1 0 264.325 0.969 20 10 CCCDRO C[C@@H]1COCCN1CCNC(=O)NCc1ccccc1O ZINC000729607214 581606547 /nfs/dbraw/zinc/60/65/47/581606547.db2.gz WJYSLBVEXNCAIF-GFCCVEGCSA-N 1 0 293.367 0.912 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]CCc2nnnn2C)c1 ZINC000771874428 581831905 /nfs/dbraw/zinc/83/19/05/581831905.db2.gz ARSANXREBZBWIZ-UHFFFAOYSA-N 1 0 277.328 0.647 20 10 CCCDRO COc1c(O)c(C[NH2+][C@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000775200493 582013770 /nfs/dbraw/zinc/01/37/70/582013770.db2.gz QAVNMATYTWINJC-ZCFIWIBFSA-N 1 0 269.257 0.272 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)c1 ZINC000775370755 582020982 /nfs/dbraw/zinc/02/09/82/582020982.db2.gz QHDQKNGNDLFSJL-JGVFFNPUSA-N 1 0 281.312 0.635 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)c1 ZINC000775370756 582021289 /nfs/dbraw/zinc/02/12/89/582021289.db2.gz QHDQKNGNDLFSJL-SFYZADRCSA-N 1 0 281.312 0.635 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1O ZINC000893870935 617176056 /nfs/dbraw/zinc/17/60/56/617176056.db2.gz GMWAVIPVMXCOPX-LLVKDONJSA-N 1 0 285.365 0.986 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)CCNC(C)=O)cc1OC ZINC000842634509 617207445 /nfs/dbraw/zinc/20/74/45/617207445.db2.gz DXBOTWVOSVKHLB-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@H]2COCO2)cc1OC ZINC000894875616 617207836 /nfs/dbraw/zinc/20/78/36/617207836.db2.gz HHPQFNADVIMOKZ-JTQLQIEISA-N 1 0 269.297 0.872 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1OC ZINC000895862233 617251818 /nfs/dbraw/zinc/25/18/18/617251818.db2.gz WCXNCXVHKUAMCZ-TXEJJXNPSA-N 1 0 297.351 0.442 20 10 CCCDRO COc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1OC ZINC000893605173 617258700 /nfs/dbraw/zinc/25/87/00/617258700.db2.gz DLYRLILNQBMPSG-OAHLLOKOSA-N 1 0 296.367 0.566 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000841941711 617254787 /nfs/dbraw/zinc/25/47/87/617254787.db2.gz OYDOFVJQQXWEMP-SNVBAGLBSA-N 1 0 265.313 0.562 20 10 CCCDRO COc1ccc(C[NH2+]CC(=O)N(C)C)c(O)c1OC ZINC000893345836 617257148 /nfs/dbraw/zinc/25/71/48/617257148.db2.gz YPGUUNLVUGBEJJ-UHFFFAOYSA-N 1 0 268.313 0.587 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](O)CO)cc1Cn1cccn1 ZINC000873116347 617257809 /nfs/dbraw/zinc/25/78/09/617257809.db2.gz BZNJBQHSBMSIMW-CQSZACIVSA-N 1 0 291.351 0.383 20 10 CCCDRO COc1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)c(O)c1 ZINC000832178145 617253844 /nfs/dbraw/zinc/25/38/44/617253844.db2.gz NRMLRWPCKMKYQV-NSHDSACASA-N 1 0 280.324 0.396 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1OC ZINC000892787618 617259990 /nfs/dbraw/zinc/25/99/90/617259990.db2.gz SVVZZLVMTBZSEC-JTQLQIEISA-N 1 0 280.324 0.730 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)CO)cc1 ZINC000930850691 617267173 /nfs/dbraw/zinc/26/71/73/617267173.db2.gz YHEICEYQWWDGHE-CYBMUJFWSA-N 1 0 268.357 0.416 20 10 CCCDRO COc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000877644325 617297366 /nfs/dbraw/zinc/29/73/66/617297366.db2.gz NHAGAZGVFFDFLB-GFCCVEGCSA-N 1 0 266.341 0.509 20 10 CCCDRO COc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000858297577 617299919 /nfs/dbraw/zinc/29/99/19/617299919.db2.gz HBIYTWNZKURFSU-GFCCVEGCSA-N 1 0 266.341 0.557 20 10 CCCDRO COc1cccc(O)c1C[N@H+](C)CCNC(C)=O ZINC000843426904 617304824 /nfs/dbraw/zinc/30/48/24/617304824.db2.gz DHRCQLVTWYGLRB-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749027 617305302 /nfs/dbraw/zinc/30/53/02/617305302.db2.gz PMABCYITWMANIS-NEPJUHHUSA-N 1 0 253.298 0.328 20 10 CCCDRO CC(=O)N(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297345 613699313 /nfs/dbraw/zinc/69/93/13/613699313.db2.gz IKFQCDQKXYYACY-CQSZACIVSA-N 1 0 292.383 0.347 20 10 CCCDRO CCC[N@H+](CC(=O)NC(N)=O)Cc1ccccc1O ZINC000130728817 614555966 /nfs/dbraw/zinc/55/59/66/614555966.db2.gz KLNQQAUHROTIIE-UHFFFAOYSA-N 1 0 265.313 0.799 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CCC(CO)(CO)C2)c(O)c1 ZINC000827474500 615510089 /nfs/dbraw/zinc/51/00/89/615510089.db2.gz AVGWOXKFXIEFNI-UHFFFAOYSA-N 1 0 281.352 0.968 20 10 CCCDRO CCOc1ccc(O)c(CN(CC[NH3+])CCO)c1 ZINC000841059185 615511812 /nfs/dbraw/zinc/51/18/12/615511812.db2.gz MOJJHVFNDZUUCS-UHFFFAOYSA-N 1 0 254.330 0.544 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](O)C[NH3+] ZINC000841092285 616164790 /nfs/dbraw/zinc/16/47/90/616164790.db2.gz MBAXOTVECZLRFV-SECBINFHSA-N 1 0 289.719 0.705 20 10 CCCDRO CN1CCCc2cc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])ccc21 ZINC000876741407 616219807 /nfs/dbraw/zinc/21/98/07/616219807.db2.gz UJIPFKXGYBKFAJ-DZGCQCFKSA-N 1 0 289.379 0.801 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726877 616496839 /nfs/dbraw/zinc/49/68/39/616496839.db2.gz YTPDSDULWHXXFI-IAQYHMDHSA-N 1 0 276.336 0.690 20 10 CCCDRO COCC[NH2+]CCNCc1cc(OC)c(OC)cc1O ZINC000841048095 616510744 /nfs/dbraw/zinc/51/07/44/616510744.db2.gz LGOMANJQCDHUIJ-UHFFFAOYSA-N 1 0 284.356 0.735 20 10 CCCDRO CNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848995601 616533209 /nfs/dbraw/zinc/53/32/09/616533209.db2.gz UWBRGMDYEXUYEP-GFCCVEGCSA-N 1 0 289.383 0.632 20 10 CCCDRO CNC(=O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892727747 616583982 /nfs/dbraw/zinc/58/39/82/616583982.db2.gz QLCMOVABIIRPSP-UHFFFAOYSA-N 1 0 268.313 0.635 20 10 CCCDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652328 616698619 /nfs/dbraw/zinc/69/86/19/616698619.db2.gz CFGYEKVOUFFICR-QMMMGPOBSA-N 1 0 251.286 0.498 20 10 CCCDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879653983 616705800 /nfs/dbraw/zinc/70/58/00/616705800.db2.gz ZTTVXNIEPJNAJX-DTWKUNHWSA-N 1 0 265.313 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ZINC001235054273 806356925 /nfs/dbraw/zinc/35/69/25/806356925.db2.gz VOGYKMZMBCLPBD-HNNXBMFYSA-N 1 0 277.368 0.538 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237669841 806708910 /nfs/dbraw/zinc/70/89/10/806708910.db2.gz PGOFTMHYKICYMZ-GXFFZTMASA-N 1 0 297.351 0.585 20 10 CCCDRO COc1cc(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c(OC)c1 ZINC001237677275 806710169 /nfs/dbraw/zinc/71/01/69/806710169.db2.gz YQCRLOXOFCUZJG-UHFFFAOYSA-N 1 0 294.351 0.929 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237677278 806710233 /nfs/dbraw/zinc/71/02/33/806710233.db2.gz YTTRBCFRXYMFDD-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COc1cc(CN2CC(C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139257813 799799749 /nfs/dbraw/zinc/79/97/49/799799749.db2.gz GZGHHQICZBDKMZ-UHFFFAOYSA-N 1 0 293.367 0.380 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001140744486 799937544 /nfs/dbraw/zinc/93/75/44/799937544.db2.gz ZBCKTWBYQTYWJO-AAEUAGOBSA-N 1 0 267.325 0.581 20 10 CCCDRO Cc1c(O)ccc(C[NH+]2CC(N(C)C3COC3)C2)c1O ZINC001140747444 799939702 /nfs/dbraw/zinc/93/97/02/799939702.db2.gz DHWAEGHKBDLWSE-UHFFFAOYSA-N 1 0 278.352 0.921 20 10 CCCDRO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001278254703 806792021 /nfs/dbraw/zinc/79/20/21/806792021.db2.gz DWNYQSWYDWCQTK-NOZJJQNGSA-N 1 0 250.273 0.839 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)CO)c(OC)c1 ZINC001141026094 799973895 /nfs/dbraw/zinc/97/38/95/799973895.db2.gz CKSIPKWIWALHMB-VIFPVBQESA-N 1 0 271.313 0.194 20 10 CCCDRO NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2O1 ZINC001278255183 806792586 /nfs/dbraw/zinc/79/25/86/806792586.db2.gz NTXPVOSOWJKPIW-OSMZGAPFSA-N 1 0 294.326 0.996 20 10 CCCDRO C[NH+](C)CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC000243297628 800795458 /nfs/dbraw/zinc/79/54/58/800795458.db2.gz LGYURVNHVIXOAL-UHFFFAOYSA-N 1 0 252.314 0.708 20 10 CCCDRO O[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001203332298 803026266 /nfs/dbraw/zinc/02/62/66/803026266.db2.gz OVMIJEXZEVJWNF-HIFRSBDPSA-N 1 0 296.342 0.512 20 10 CCCDRO COc1cc(CN2CC[C@H](CO)[C@H](O)C2)cc(O)c1O ZINC001204344183 803079284 /nfs/dbraw/zinc/07/92/84/803079284.db2.gz VSTUXQLJBZLELW-ZYHUDNBSSA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(CN2CC[C@@H](O)[C@@H](CO)C2)cc(O)c1O ZINC001204343834 803079419 /nfs/dbraw/zinc/07/94/19/803079419.db2.gz SYEXXPPQCCDADU-GHMZBOCLSA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(Cl)cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205363766 803137564 /nfs/dbraw/zinc/13/75/64/803137564.db2.gz RBPXBDDUTUUIIC-NXEZZACHSA-N 1 0 272.732 0.558 20 10 CCCDRO COc1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c([O-])c1Cl ZINC001206102269 803207984 /nfs/dbraw/zinc/20/79/84/803207984.db2.gz WBROWRWBZSYALD-NXEZZACHSA-N 1 0 286.759 0.948 20 10 CCCDRO COc1cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c(OC)c1 ZINC001206110312 803208633 /nfs/dbraw/zinc/20/86/33/803208633.db2.gz SVJBHVWLDSUVOC-VXGBXAGGSA-N 1 0 282.340 0.303 20 10 CCCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001206437059 803243148 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[NH3+][C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001206096923 839660883 /nfs/dbraw/zinc/66/08/83/839660883.db2.gz BRHFDUQQSFFLPY-NXEZZACHSA-N 1 0 272.732 0.645 20 10 CCCDRO C[C@]1(CO)C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144503739 840069493 /nfs/dbraw/zinc/06/94/93/840069493.db2.gz BJVHBBMKJOVYBS-ZIAGYGMSSA-N 1 0 283.324 0.369 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1C ZINC001144514939 840074816 /nfs/dbraw/zinc/07/48/16/840074816.db2.gz YFMQWAIICZHZPO-SECBINFHSA-N 1 0 252.314 0.939 20 10 CCCDRO CC[NH+](CC)CCNC(=O)CN1C(=O)CSC1=S ZINC001144841033 840156992 /nfs/dbraw/zinc/15/69/92/840156992.db2.gz OCCXHBRNTFQBET-UHFFFAOYSA-N 1 0 289.426 0.305 20 10 CCCDRO COc1cc(C(=O)N2CC([NH+](C)C)C2)cc(O)c1O ZINC001193080718 845973232 /nfs/dbraw/zinc/97/32/32/845973232.db2.gz CTPLPGGSOPRYBQ-UHFFFAOYSA-N 1 0 266.297 0.492 20 10 CCCDRO COC(=O)[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252445865 847966964 /nfs/dbraw/zinc/96/69/64/847966964.db2.gz XEDRGGASXYOXMD-LBPRGKRZSA-N 1 0 253.298 0.633 20 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JFZQDXYKHLMAFP-UHFFFAOYSA-N 1 0 256.321 0.935 20 10 CCCDRO CCN(C)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000187676205 351552748 /nfs/dbraw/zinc/55/27/48/351552748.db2.gz IOCJFTMPKXRYFC-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COC(=O)c1cn(CC[NH2+]Cc2cccc(C)c2O)nn1 ZINC000284877075 353557294 /nfs/dbraw/zinc/55/72/94/353557294.db2.gz DUEROLHEUWKKSJ-UHFFFAOYSA-N 1 0 290.323 0.869 20 10 CCCDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)N1 ZINC000193467384 389070593 /nfs/dbraw/zinc/07/05/93/389070593.db2.gz IWPKRWDVWUIUDN-CQSZACIVSA-N 1 0 293.298 0.705 20 10 CCCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000168189420 389449831 /nfs/dbraw/zinc/44/98/31/389449831.db2.gz HTPAEJQIPISOEO-CVJBHZAOSA-N 1 0 271.338 0.978 20 10 CCCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCNC1=O ZINC000281766723 389624199 /nfs/dbraw/zinc/62/41/99/389624199.db2.gz LWSPSCJFLFMRTO-SNVBAGLBSA-N 1 0 278.308 0.831 20 10 CCCDRO CNC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000182462760 389709012 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328194090 /nfs/dbraw/zinc/19/40/90/328194090.db2.gz MYHCUBWMSIHPFS-OAHLLOKOSA-N 1 0 291.395 0.826 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1F ZINC000274940222 522183298 /nfs/dbraw/zinc/18/32/98/522183298.db2.gz QHLUVAFVKCXOKO-RYUDHWBXSA-N 1 0 268.332 0.819 20 10 CCCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236918469 522329146 /nfs/dbraw/zinc/32/91/46/522329146.db2.gz BCOZDVXMTYEIMG-AWEZNQCLSA-N 1 0 277.368 0.877 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1OC ZINC000234841950 523739167 /nfs/dbraw/zinc/73/91/67/523739167.db2.gz FAESLCIYYULKIG-OKILXGFUSA-N 1 0 281.308 0.967 20 10 CCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000225311372 523885001 /nfs/dbraw/zinc/88/50/01/523885001.db2.gz GLBMGZHURGIGPX-AWEZNQCLSA-N 1 0 276.384 0.173 20 10 CCCDRO Cn1cccc1CNC(=S)NCCC[NH+](C)C ZINC000743061597 581801897 /nfs/dbraw/zinc/80/18/97/581801897.db2.gz LZMMGXYIXAHUOL-UHFFFAOYSA-N 1 0 254.403 0.941 20 10 CCCDRO C[N@@H+]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000762268355 581937439 /nfs/dbraw/zinc/93/74/39/581937439.db2.gz CVOUEXIUHZMWQW-NSHDSACASA-N 1 0 264.325 0.708 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000775829929 582042014 /nfs/dbraw/zinc/04/20/14/582042014.db2.gz AXZYIEFKYRMTEL-NSHDSACASA-N 1 0 290.367 0.955 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000841937361 617254538 /nfs/dbraw/zinc/25/45/38/617254538.db2.gz QFYKESQASDZOAC-NSHDSACASA-N 1 0 279.340 0.952 20 10 CCCDRO COc1ccc(C[NH2+]CCC(=O)N(C)C)c(O)c1OC ZINC000892749370 617257497 /nfs/dbraw/zinc/25/74/97/617257497.db2.gz CTEWBLPFQQAYJW-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(N)=O)cc1 ZINC000844400049 617267213 /nfs/dbraw/zinc/26/72/13/617267213.db2.gz UDRJEUSLASLDEA-LLVKDONJSA-N 1 0 265.357 0.937 20 10 CCCDRO COc1ccc(N2CC[C@H](C[NH2+]CCC(N)=O)C2)cc1 ZINC000819380085 617268240 /nfs/dbraw/zinc/26/82/40/617268240.db2.gz NNIDXOWLSUESCS-GFCCVEGCSA-N 1 0 277.368 0.987 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000818213885 617274113 /nfs/dbraw/zinc/27/41/13/617274113.db2.gz LLKWNIQKZIHWSY-ONOSFVFSSA-N 1 0 250.298 0.925 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000877719678 617272681 /nfs/dbraw/zinc/27/26/81/617272681.db2.gz FHAXETMKLBSRPV-TXEJJXNPSA-N 1 0 290.319 0.447 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H](C)CC[NH3+])c1O ZINC000841968430 617298924 /nfs/dbraw/zinc/29/89/24/617298924.db2.gz XMLCZJROOITKPV-VIFPVBQESA-N 1 0 267.329 0.937 20 10 CCCDRO CC(=O)N1CCN(CC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876931754 613415338 /nfs/dbraw/zinc/41/53/38/613415338.db2.gz UXVOWNOWTSFRCY-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO CC1(C(N)=O)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843415135 614498773 /nfs/dbraw/zinc/49/87/73/614498773.db2.gz DMORBKMYSOQMPC-UHFFFAOYSA-N 1 0 264.281 0.428 20 10 CCCDRO CC[NH2+]CCNC(=O)NCCc1ccc(N)cc1 ZINC000841934572 615086707 /nfs/dbraw/zinc/08/67/07/615086707.db2.gz ASHOXDNPSJEUQV-UHFFFAOYSA-N 1 0 250.346 0.720 20 10 CCCDRO CCON(C)C(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000846062602 615337581 /nfs/dbraw/zinc/33/75/81/615337581.db2.gz IQKJIGVACLJIAD-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858338609 615512086 /nfs/dbraw/zinc/51/20/86/615512086.db2.gz IJTZEMVYRSIDLA-ZDUSSCGKSA-N 1 0 280.368 0.947 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)c1O ZINC000895708568 615516296 /nfs/dbraw/zinc/51/62/96/615516296.db2.gz SLOOKXCUFLVBSX-HNNXBMFYSA-N 1 0 295.335 0.901 20 10 CCCDRO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877078001 615812914 /nfs/dbraw/zinc/81/29/14/615812914.db2.gz YSLLPLFMXOSBLI-ZDUSSCGKSA-N 1 0 290.367 0.490 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000808751106 616014250 /nfs/dbraw/zinc/01/42/50/616014250.db2.gz RERWXMMXUDJYRH-UKRRQHHQSA-N 1 0 264.369 0.928 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1F ZINC000852863214 616015614 /nfs/dbraw/zinc/01/56/14/616015614.db2.gz LGGXUUZSCKIBJQ-FZMZJTMJSA-N 1 0 295.358 0.872 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)C[NH3+] ZINC000841092542 616164640 /nfs/dbraw/zinc/16/46/40/616164640.db2.gz OCAUMXMORLRJEQ-VIFPVBQESA-N 1 0 262.712 0.936 20 10 CCCDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928710716 616218740 /nfs/dbraw/zinc/21/87/40/616218740.db2.gz WFEMSDZASWMWJQ-HNNXBMFYSA-N 1 0 296.342 0.994 20 10 CCCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 ZINC000834310034 616329297 /nfs/dbraw/zinc/32/92/97/616329297.db2.gz BRHHNRJRKHRICO-KOLCDFICSA-N 1 0 262.309 0.874 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132168 616500091 /nfs/dbraw/zinc/50/00/91/616500091.db2.gz RTAQHFBMWCPGLH-QMTHXVAHSA-N 1 0 280.324 0.169 20 10 CCCDRO COCC[NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666135 616508535 /nfs/dbraw/zinc/50/85/35/616508535.db2.gz AAROREBDDQODAM-SNVBAGLBSA-N 1 0 282.340 0.814 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000884334813 616635695 /nfs/dbraw/zinc/63/56/95/616635695.db2.gz CGSBYKFIVPFIQH-LLVKDONJSA-N 1 0 268.313 0.381 20 10 CCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cccc(OC)c1O ZINC000843123990 616692111 /nfs/dbraw/zinc/69/21/11/616692111.db2.gz SWLMJFFHZWZOFH-GFCCVEGCSA-N 1 0 294.351 0.738 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000894916084 616776360 /nfs/dbraw/zinc/77/63/60/616776360.db2.gz YSYBKNJLKGIRFJ-GHMZBOCLSA-N 1 0 259.252 0.862 20 10 CCCDRO COC(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274100 616866731 /nfs/dbraw/zinc/86/67/31/616866731.db2.gz SINWZMNWGOVDLG-GFCCVEGCSA-N 1 0 294.355 0.225 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000872140840 616918283 /nfs/dbraw/zinc/91/82/83/616918283.db2.gz ABKYSWHUHOJVIB-GAJTVXKRSA-N 1 0 295.335 0.979 20 10 CCCDRO C[NH2+]CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000043599820 616938360 /nfs/dbraw/zinc/93/83/60/616938360.db2.gz BONFOMJFMDFMLO-UHFFFAOYSA-N 1 0 277.368 0.953 20 10 CCCDRO C[NH2+]CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846171502 616960251 /nfs/dbraw/zinc/96/02/51/616960251.db2.gz UAQRKPSZBUIDAK-UHFFFAOYSA-N 1 0 294.399 0.992 20 10 CCCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000832177922 616988752 /nfs/dbraw/zinc/98/87/52/616988752.db2.gz JIHWEODHVBEVIC-VIFPVBQESA-N 1 0 252.314 0.873 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840940424 617021646 /nfs/dbraw/zinc/02/16/46/617021646.db2.gz YWXQYOYAPIKZQG-UHFFFAOYSA-N 1 0 285.413 0.700 20 10 CCCDRO C[NH2+][C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218614 617049038 /nfs/dbraw/zinc/04/90/38/617049038.db2.gz YESRIPCONRYBFW-CQSZACIVSA-N 1 0 290.411 0.663 20 10 CCCDRO CO[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274840 617146234 /nfs/dbraw/zinc/14/62/34/617146234.db2.gz ZREOMDIQZBQPPD-GWCFXTLKSA-N 1 0 265.357 0.904 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315468 617164091 /nfs/dbraw/zinc/16/40/91/617164091.db2.gz POKSBGBHMVBQHB-AWEZNQCLSA-N 1 0 278.352 0.861 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000848436313 622568586 /nfs/dbraw/zinc/56/85/86/622568586.db2.gz NBLVQNKCHUJBPY-SECBINFHSA-N 1 0 261.247 0.817 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(CO)COCCN2C)c1 ZINC000922534946 639718822 /nfs/dbraw/zinc/71/88/22/639718822.db2.gz CWRGWWAXNJHEMP-HNNXBMFYSA-N 1 0 280.368 0.483 20 10 CCCDRO CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104025 650526684 /nfs/dbraw/zinc/52/66/84/650526684.db2.gz PJDZAUUSUFRJDS-NSHDSACASA-N 1 0 279.340 0.923 20 10 CCCDRO C[C@@H]([NH2+]CCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000839564010 640344155 /nfs/dbraw/zinc/34/41/55/640344155.db2.gz PRBRQKHNWGDVPX-SNVBAGLBSA-N 1 0 278.356 0.988 20 10 CCCDRO Cc1cccc(C[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000826942371 641969871 /nfs/dbraw/zinc/96/98/71/641969871.db2.gz PCZAJHVMFZKAQK-OAHLLOKOSA-N 1 0 281.352 0.958 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H](F)CN1)OCO2 ZINC000841080708 642801913 /nfs/dbraw/zinc/80/19/13/642801913.db2.gz XYOCSDYIIREARH-UWVGGRQHSA-N 1 0 268.288 0.911 20 10 CCCDRO C[C@H]1C[NH2+]CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844217098 643183233 /nfs/dbraw/zinc/18/32/33/643183233.db2.gz BTYVPZKKDDBZJG-ZDUSSCGKSA-N 1 0 290.411 0.663 20 10 CCCDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846047151 643375056 /nfs/dbraw/zinc/37/50/56/643375056.db2.gz VFJACJNJKHLMBQ-OKILXGFUSA-N 1 0 289.379 0.877 20 10 CCCDRO Oc1ccc(F)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862552460 645005188 /nfs/dbraw/zinc/00/51/88/645005188.db2.gz ZIFVCTPTQMJOLB-LBPRGKRZSA-N 1 0 254.305 0.688 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000876799218 646667530 /nfs/dbraw/zinc/66/75/30/646667530.db2.gz BAPJILOBWHOBFB-NSHDSACASA-N 1 0 261.325 0.910 20 10 CCCDRO Cc1ccc(C[NH2+]CC(=O)N2CCOCC2)c(O)c1 ZINC000877138880 646740354 /nfs/dbraw/zinc/74/03/54/646740354.db2.gz DRAMAUBATNGCSF-UHFFFAOYSA-N 1 0 264.325 0.649 20 10 CCCDRO C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccccc1O ZINC000877255633 646771231 /nfs/dbraw/zinc/77/12/31/646771231.db2.gz GBCNHPKPEQYEEO-KOLCDFICSA-N 1 0 251.330 0.458 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000877578170 646825749 /nfs/dbraw/zinc/82/57/49/646825749.db2.gz XIRHPUSLQLJINL-JSGCOSHPSA-N 1 0 276.336 0.790 20 10 CCCDRO Cc1cc(Cn2cc([C@@H]([NH3+])CO)nn2)ccc1N(C)C ZINC000881377391 647307171 /nfs/dbraw/zinc/30/71/71/647307171.db2.gz LSPSLIVSHUTJGA-LBPRGKRZSA-N 1 0 275.356 0.693 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccccc1O ZINC000931555251 649005190 /nfs/dbraw/zinc/00/51/90/649005190.db2.gz WBFQRLWCUIINFK-LALPHHSUSA-N 1 0 281.352 0.945 20 10 CCCDRO CN1CCN(C(=O)C[N@H+](C)Cc2ccccc2O)CC1 ZINC000093193198 649733010 /nfs/dbraw/zinc/73/30/10/649733010.db2.gz XVBACSFFJLSNKX-UHFFFAOYSA-N 1 0 277.368 0.598 20 10 CCCDRO COC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000382586002 790802666 /nfs/dbraw/zinc/80/26/66/790802666.db2.gz XJQOBKJSYWMWCW-CYBMUJFWSA-N 1 0 255.314 0.888 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001231590702 805821036 /nfs/dbraw/zinc/82/10/36/805821036.db2.gz FIWCLZSBQQWASW-STQMWFEESA-N 1 0 251.326 0.876 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001231849720 805863202 /nfs/dbraw/zinc/86/32/02/805863202.db2.gz XJDOGONFORBAID-GXTWGEPZSA-N 1 0 280.368 0.546 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001232260529 805914448 /nfs/dbraw/zinc/91/44/48/805914448.db2.gz RFUQOVIEOAQKNA-GXSJLCMTSA-N 1 0 287.743 0.926 20 10 CCCDRO COc1cc(O)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1Cl ZINC001232267148 805916393 /nfs/dbraw/zinc/91/63/93/805916393.db2.gz XVVYGHJWZWFMPQ-BXKDBHETSA-N 1 0 287.743 0.839 20 10 CCCDRO CN1CCOc2cc(C[NH+]3CC4(C[C@H]4C(N)=O)C3)ccc21 ZINC001277654045 805928074 /nfs/dbraw/zinc/92/80/74/805928074.db2.gz XHSQMRQPZJZDQO-LBPRGKRZSA-N 1 0 287.363 0.822 20 10 CCCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)CO)c(O)c1 ZINC001232838182 805985479 /nfs/dbraw/zinc/98/54/79/805985479.db2.gz HNHPOMDONYIERX-LBPRGKRZSA-N 1 0 254.330 0.243 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001232838681 805985606 /nfs/dbraw/zinc/98/56/06/805985606.db2.gz SUHRAWYEJFPODU-OCCSQVGLSA-N 1 0 289.379 0.978 20 10 CCCDRO CNC(=O)N1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840580 805987144 /nfs/dbraw/zinc/98/71/44/805987144.db2.gz CYQLNTOMTWCZKU-UHFFFAOYSA-N 1 0 292.383 0.915 20 10 CCCDRO C[N@H+]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]2C1 ZINC001233017433 806008174 /nfs/dbraw/zinc/00/81/74/806008174.db2.gz VGCMUHYWXAEXDD-PHIMTYICSA-N 1 0 264.325 0.797 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233017180 806009244 /nfs/dbraw/zinc/00/92/44/806009244.db2.gz TYQIXRIBQIAOMN-GDGBQDQQSA-N 1 0 279.292 0.654 20 10 CCCDRO C[N@H+](C1CN(Cc2cc(O)c(O)cc2O)C1)[C@H]1CCOC1 ZINC001233485775 806061150 /nfs/dbraw/zinc/06/11/50/806061150.db2.gz KIITXGFGIXVABD-NSHDSACASA-N 1 0 294.351 0.708 20 10 CCCDRO C[N@H+](CCC1OCCO1)Cc1cc(O)c(O)cc1O ZINC001233485737 806061873 /nfs/dbraw/zinc/06/18/73/806061873.db2.gz JDCKPTVVPBQXHE-UHFFFAOYSA-N 1 0 269.297 0.998 20 10 CCCDRO Nc1ccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236166769 806544705 /nfs/dbraw/zinc/54/47/05/806544705.db2.gz SFPAFQBRYRXYNQ-CQSZACIVSA-N 1 0 261.369 0.958 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236300215 806563516 /nfs/dbraw/zinc/56/35/16/806563516.db2.gz XXQUSVYISLGART-CHWSQXEVSA-N 1 0 276.336 0.511 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(O)c(O)c(OC)c2)C[C@@H]1[NH3+] ZINC001236338771 806570487 /nfs/dbraw/zinc/57/04/87/806570487.db2.gz CEGYPDURENACCE-ZJUUUORDSA-N 1 0 296.323 0.039 20 10 CCCDRO CCOc1ccc(CN2C[C@H]([NH3+])[C@H](C(=O)OC)C2)c(O)c1 ZINC001236352903 806583730 /nfs/dbraw/zinc/58/37/30/806583730.db2.gz NJUHMVLUTSEOQV-OLZOCXBDSA-N 1 0 294.351 0.723 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(O)ccc(F)c2F)C[C@H]1[NH3+] ZINC001236360957 806586557 /nfs/dbraw/zinc/58/65/57/806586557.db2.gz WDAHHJOQRMCJCI-GMSGAONNSA-N 1 0 286.278 0.603 20 10 CCCDRO CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001236783303 806609078 /nfs/dbraw/zinc/60/90/78/806609078.db2.gz JUSNSYDNNVXZCN-TZMCWYRMSA-N 1 0 251.326 0.740 20 10 CCCDRO O=S(=O)(CC1CC[NH2+]CC1)Nc1cccc(O)c1O ZINC001237629226 806702409 /nfs/dbraw/zinc/70/24/09/806702409.db2.gz KUQAEESSOMCUAE-UHFFFAOYSA-N 1 0 286.353 0.839 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)CNCC[NH3+])c1 ZINC001121951234 799106042 /nfs/dbraw/zinc/10/60/42/799106042.db2.gz NBFXEXJACGZSFI-SECBINFHSA-N 1 0 267.329 0.126 20 10 CCCDRO O=C1COC[C@H]2CN(Cc3cccc(F)c3O)CCN12 ZINC001138129703 799702693 /nfs/dbraw/zinc/70/26/93/799702693.db2.gz RXDSKYAHOAGJDH-LLVKDONJSA-N 1 0 280.299 0.574 20 10 CCCDRO CN1CCCc2cc(C[N@H+](C)C[C@H](O)CO)ccc21 ZINC001138355329 799723898 /nfs/dbraw/zinc/72/38/98/799723898.db2.gz OAWQPZRSPOJPCX-AWEZNQCLSA-N 1 0 264.369 0.854 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC001140743822 799938424 /nfs/dbraw/zinc/93/84/24/799938424.db2.gz AEWCDZZIECWZDQ-ZDUSSCGKSA-N 1 0 278.352 0.923 20 10 CCCDRO COc1ccc(C[NH2+]CCCNC(=O)CC(N)=O)cc1C ZINC001156025543 801096351 /nfs/dbraw/zinc/09/63/51/801096351.db2.gz UQXIBADGWWSGLI-UHFFFAOYSA-N 1 0 293.367 0.475 20 10 CCCDRO C[N@H+](C1CN(C(=O)Cc2ccc(N)cc2)C1)[C@H]1CCOC1 ZINC001161501005 802166015 /nfs/dbraw/zinc/16/60/15/802166015.db2.gz WPIYUQVAZOEFPC-AWEZNQCLSA-N 1 0 289.379 0.743 20 10 CCCDRO CC1(C)Oc2ccc(N(CC[NH3+])CCO)cc2O1 ZINC001163836357 802622857 /nfs/dbraw/zinc/62/28/57/802622857.db2.gz TXHHYEMGBKNSAI-UHFFFAOYSA-N 1 0 252.314 0.951 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001203602234 803037838 /nfs/dbraw/zinc/03/78/38/803037838.db2.gz KIVKWXCCMVUACK-STQMWFEESA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001203627609 803038940 /nfs/dbraw/zinc/03/89/40/803038940.db2.gz KXAPQUULEYLJTO-UHFFFAOYSA-N 1 0 264.325 0.921 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1O ZINC001203875539 803049238 /nfs/dbraw/zinc/04/92/38/803049238.db2.gz PKKFJLPHYJEDIO-MFKMUULPSA-N 1 0 253.298 0.273 20 10 CCCDRO C[NH+](C)C[C@H]1CN(Cc2ccc(O)cc2O)CCO1 ZINC001204276537 803075740 /nfs/dbraw/zinc/07/57/40/803075740.db2.gz MFIUFDWSKZYFTL-ZDUSSCGKSA-N 1 0 266.341 0.860 20 10 CCCDRO CN1CCOc2cc(CN3CC[C@@H](O)[C@H]([NH3+])C3)ccc21 ZINC001206092399 803204384 /nfs/dbraw/zinc/20/43/84/803204384.db2.gz DNATZFJGEYNAGZ-TZMCWYRMSA-N 1 0 277.368 0.409 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001219849683 804432400 /nfs/dbraw/zinc/43/24/00/804432400.db2.gz FKNMTEUVJFCHKU-KCQAQPDRSA-N 1 0 275.352 0.447 20 10 CCCDRO Cn1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1=O ZINC001241896442 806983995 /nfs/dbraw/zinc/98/39/95/806983995.db2.gz ROBNMGPMZNRTBX-UHFFFAOYSA-N 1 0 271.324 0.252 20 10 CCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCC[NH2+]C1 ZINC001246087755 807148256 /nfs/dbraw/zinc/14/82/56/807148256.db2.gz YUASCNGVUWAGMP-RYUDHWBXSA-N 1 0 294.351 0.524 20 10 CCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246168980 807173266 /nfs/dbraw/zinc/17/32/66/807173266.db2.gz HHNUFELHRVIYIQ-OLZOCXBDSA-N 1 0 263.341 0.652 20 10 CCCDRO CC[NH+](CC)C[C@H](O)CNCc1cccc(O)c1O ZINC001253210979 808033272 /nfs/dbraw/zinc/03/32/72/808033272.db2.gz QTWCMZBZQRCIAV-GFCCVEGCSA-N 1 0 268.357 0.890 20 10 CCCDRO CC(C)[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253752935 808132759 /nfs/dbraw/zinc/13/27/59/808132759.db2.gz ZIWAKKPKNOKTQH-STQMWFEESA-N 1 0 255.314 0.738 20 10 CCCDRO CC(C)[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253782404 808138339 /nfs/dbraw/zinc/13/83/39/808138339.db2.gz IIFOJQODRYXYHN-LBPRGKRZSA-N 1 0 253.298 0.887 20 10 CCCDRO CCOC(=O)C[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253808154 808148720 /nfs/dbraw/zinc/14/87/20/808148720.db2.gz QPPMJUGYTKBIOK-NSHDSACASA-N 1 0 283.324 0.544 20 10 CCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccc(O)c(O)c1 ZINC001256326386 808496892 /nfs/dbraw/zinc/49/68/92/808496892.db2.gz MLQNPQSJMNEWSB-NSHDSACASA-N 1 0 294.351 0.825 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](O)C[NH3+])cc1 ZINC001263096271 809441255 /nfs/dbraw/zinc/44/12/55/809441255.db2.gz MFMOULYAHOWSGP-AWEZNQCLSA-N 1 0 279.384 0.859 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CCN2C)cc1F ZINC001263097964 809441605 /nfs/dbraw/zinc/44/16/05/809441605.db2.gz NZYMVQPDGUKBMD-CQSZACIVSA-N 1 0 294.374 0.412 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c1O ZINC001140744511 811378513 /nfs/dbraw/zinc/37/85/13/811378513.db2.gz ZVOCACZSUIAXNJ-CQSZACIVSA-N 1 0 267.325 0.989 20 10 CCCDRO C[N@@H+]1CCC2(CN(C(=O)c3cccc(O)c3O)C2)C1 ZINC001269608092 813444289 /nfs/dbraw/zinc/44/42/89/813444289.db2.gz SYFUAJYAKFZNSJ-UHFFFAOYSA-N 1 0 262.309 0.876 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172013 817134599 /nfs/dbraw/zinc/13/45/99/817134599.db2.gz HETPTAPZWLYBNK-LBPRGKRZSA-N 1 0 264.325 0.641 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(O)cc1O ZINC001236194993 817154713 /nfs/dbraw/zinc/15/47/13/817154713.db2.gz GIPKHKQNESHHHI-ONGXEEELSA-N 1 0 266.297 0.172 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001236800462 817411734 /nfs/dbraw/zinc/41/17/34/817411734.db2.gz YZSHJNMBFKGUHK-SDBXPKJASA-N 1 0 287.743 0.839 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237488983 817509125 /nfs/dbraw/zinc/50/91/25/817509125.db2.gz BBPOWKUKFXPCKV-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO CCc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000700314624 818762171 /nfs/dbraw/zinc/76/21/71/818762171.db2.gz YCCIAOQIJIZBSH-CHWSQXEVSA-N 1 0 299.392 0.856 20 10 CCCDRO C[NH+]1CCN(C2CN(Cc3c(O)cccc3F)C2)CC1 ZINC001137840373 819704731 /nfs/dbraw/zinc/70/47/31/819704731.db2.gz YZSPWBFEONUIKX-UHFFFAOYSA-N 1 0 279.359 0.963 20 10 CCCDRO COc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000822304679 821478884 /nfs/dbraw/zinc/47/88/84/821478884.db2.gz SRNZSXYQFLCODI-IAQYHMDHSA-N 1 0 294.351 0.472 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1OC ZINC001144499134 840065752 /nfs/dbraw/zinc/06/57/52/840065752.db2.gz BGQHCWWCLJJSHO-BETUJISGSA-N 1 0 269.297 0.649 20 10 CCCDRO OC[C@@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500120 840067099 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250.298 0.960 20 10 CCCDRO CNC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466325 348509244 /nfs/dbraw/zinc/50/92/44/348509244.db2.gz RZGHOGOOBHYRDP-UHFFFAOYSA-N 1 0 277.368 0.953 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000187176907 351532248 /nfs/dbraw/zinc/53/22/48/351532248.db2.gz QHAWHUIOHOOLNS-VIFPVBQESA-N 1 0 258.343 0.592 20 10 CCCDRO C[C@@H](O)C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000188730492 351622243 /nfs/dbraw/zinc/62/22/43/351622243.db2.gz WGFVUMVCWIJGGE-LLVKDONJSA-N 1 0 294.351 0.619 20 10 CCCDRO CCOc1cccc(C[NH+]2CC(C(=O)NC)C2)c1O ZINC000297393912 200174846 /nfs/dbraw/zinc/17/48/46/200174846.db2.gz KRJQXZDZPDXGPC-UHFFFAOYSA-N 1 0 264.325 0.969 20 10 CCCDRO [NH3+]CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132916563 389228700 /nfs/dbraw/zinc/22/87/00/389228700.db2.gz VNRGUJAJQSWABI-UHFFFAOYSA-N 1 0 281.331 0.627 20 10 CCCDRO C[N@H+](Cc1cc(F)ccc1O)CC(C)(CO)CO ZINC000180172616 389667320 /nfs/dbraw/zinc/66/73/20/389667320.db2.gz QNHOOUBCCSOOBJ-UHFFFAOYSA-N 1 0 257.305 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CC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000152952473 613474447 /nfs/dbraw/zinc/47/44/47/613474447.db2.gz IONYMNQBTFFRDH-LLVKDONJSA-N 1 0 278.308 0.831 20 10 CCCDRO CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286385 614097008 /nfs/dbraw/zinc/09/70/08/614097008.db2.gz ZCBGUICLQHTCAC-QMTHXVAHSA-N 1 0 292.383 0.393 20 10 CCCDRO CCNC(=O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894382700 615050124 /nfs/dbraw/zinc/05/01/24/615050124.db2.gz YYUMCEHDPIFVPT-UHFFFAOYSA-N 1 0 252.314 0.935 20 10 CCCDRO CCNC(=O)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350194 615057023 /nfs/dbraw/zinc/05/70/23/615057023.db2.gz OWYYZOTVVCCVJW-UHFFFAOYSA-N 1 0 290.367 0.744 20 10 CCCDRO CCN(OC)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000843430326 615076172 /nfs/dbraw/zinc/07/61/72/615076172.db2.gz INRDOWOJYZPFOY-UHFFFAOYSA-N 1 0 298.339 0.909 20 10 CCCDRO CCOc1ccc(CN2CCO[C@H](C[NH3+])C2)c(O)c1 ZINC000843069230 615510614 /nfs/dbraw/zinc/51/06/14/615510614.db2.gz QESUVMWLDMVWEG-CYBMUJFWSA-N 1 0 266.341 0.950 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ZINC000846221150 616987379 /nfs/dbraw/zinc/98/73/79/616987379.db2.gz HKXBTGTXPNXKBZ-MRXNPFEDSA-N 1 0 293.411 0.788 20 10 CCCDRO COc1c(O)c(CN(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000841101218 617149164 /nfs/dbraw/zinc/14/91/64/617149164.db2.gz SDXAUUBHRIQBPP-UHFFFAOYSA-N 1 0 255.274 0.700 20 10 CCCDRO COc1c(O)c(C[NH2+][C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000826774136 617149241 /nfs/dbraw/zinc/14/92/41/617149241.db2.gz PHPXVQJTEYJHJW-QMMMGPOBSA-N 1 0 281.268 0.287 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CCC([NH3+])CC2)cc1 ZINC000092714478 625490599 /nfs/dbraw/zinc/49/05/99/625490599.db2.gz GBAYELNNOGDZSC-UHFFFAOYSA-N 1 0 290.411 0.792 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000848436314 622568308 /nfs/dbraw/zinc/56/83/08/622568308.db2.gz NBLVQNKCHUJBPY-VIFPVBQESA-N 1 0 261.247 0.817 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000160327317 624705255 /nfs/dbraw/zinc/70/52/55/624705255.db2.gz OVBDIIWOWBIZAS-HNNXBMFYSA-N 1 0 289.379 0.973 20 10 CCCDRO COCC[NH2+]CC(=O)N(C)Cc1ccccc1O ZINC000092496030 624994336 /nfs/dbraw/zinc/99/43/36/624994336.db2.gz HDWTZFWQVHDWCK-UHFFFAOYSA-N 1 0 252.314 0.587 20 10 CCCDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000895771307 632151533 /nfs/dbraw/zinc/15/15/33/632151533.db2.gz JRZRVKUUBFVIIT-ZDUSSCGKSA-N 1 0 294.326 0.916 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911782428 636378169 /nfs/dbraw/zinc/37/81/69/636378169.db2.gz IYXAUFUKDRRORZ-HZSPNIEDSA-N 1 0 259.353 0.783 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(N)(=O)=O)c1 ZINC000045066544 636877878 /nfs/dbraw/zinc/87/78/78/636877878.db2.gz DOSUJGQBXYWTOT-SECBINFHSA-N 1 0 288.369 0.730 20 10 CCCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922826610 639798966 /nfs/dbraw/zinc/79/89/66/639798966.db2.gz DDSIJKLFRLLGTF-LBPRGKRZSA-N 1 0 285.365 0.117 20 10 CCCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]12 ZINC000824893476 641850802 /nfs/dbraw/zinc/85/08/02/641850802.db2.gz SQYKUFRSCPVTNY-OCAPTIKFSA-N 1 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/nfs/dbraw/zinc/37/74/59/643377459.db2.gz WOLPLKIKGIIMMR-CQSZACIVSA-N 1 0 262.353 0.951 20 10 CCCDRO Oc1ccc(F)cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853248093 644095166 /nfs/dbraw/zinc/09/51/66/644095166.db2.gz APTJIEJNEIELNT-UHFFFAOYSA-N 1 0 252.289 0.706 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CCN1CC[C@H](O)C1)OCO2 ZINC000858339281 644609929 /nfs/dbraw/zinc/60/99/29/644609929.db2.gz VINWBWYLKCVEGN-NSHDSACASA-N 1 0 280.324 0.277 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccccc1O ZINC000877255652 646770720 /nfs/dbraw/zinc/77/07/20/646770720.db2.gz GOZGTGPAOCBPIP-IRUJWGPZSA-N 1 0 264.325 0.933 20 10 CCCDRO Cc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(O)c1 ZINC000877465283 646818236 /nfs/dbraw/zinc/81/82/36/646818236.db2.gz SILINRRCRSTBCI-UHFFFAOYSA-N 1 0 284.381 0.954 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)c(O)c1 ZINC000877584688 646825474 /nfs/dbraw/zinc/82/54/74/646825474.db2.gz INNONXCMLWBBEA-LBPRGKRZSA-N 1 0 262.313 0.443 20 10 CCCDRO COc1cc(O)c(CN2CC[N@H+](C)C[C@H]2CO)cc1OC ZINC000877643764 646831619 /nfs/dbraw/zinc/83/16/19/646831619.db2.gz IQZGGBOKDRBKNZ-LBPRGKRZSA-N 1 0 296.367 0.518 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccccc1O ZINC000931555250 649004971 /nfs/dbraw/zinc/00/49/71/649004971.db2.gz WBFQRLWCUIINFK-JMSVASOKSA-N 1 0 281.352 0.945 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccccc1O ZINC000931558636 649005251 /nfs/dbraw/zinc/00/52/51/649005251.db2.gz WBFQRLWCUIINFK-HUBLWGQQSA-N 1 0 281.352 0.945 20 10 CCCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000193014583 649521974 /nfs/dbraw/zinc/52/19/74/649521974.db2.gz BEUURTVVDMZEIT-NSHDSACASA-N 1 0 294.351 0.938 20 10 CCCDRO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000083410854 649604727 /nfs/dbraw/zinc/60/47/27/649604727.db2.gz NQTDDAGRTDRZEU-LLVKDONJSA-N 1 0 255.339 0.977 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)CN1CC[NH2+]CC1 ZINC000037823802 790620872 /nfs/dbraw/zinc/62/08/72/790620872.db2.gz WZSNIWZCXMENPQ-UHFFFAOYSA-N 1 0 263.341 0.256 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001231849480 805863590 /nfs/dbraw/zinc/86/35/90/805863590.db2.gz UPYQAFWYOWXGFI-AWEZNQCLSA-N 1 0 280.368 0.954 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001232835680 805985501 /nfs/dbraw/zinc/98/55/01/805985501.db2.gz FQOJWXJFTDRBKD-GXTWGEPZSA-N 1 0 280.368 0.633 20 10 CCCDRO C[NH+](C)C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCO1 ZINC001233010849 806005295 /nfs/dbraw/zinc/00/52/95/806005295.db2.gz VSXIQNIHWDWSDZ-NSHDSACASA-N 1 0 282.340 0.566 20 10 CCCDRO CN(Cc1cc(O)c(O)c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC001233011490 806006569 /nfs/dbraw/zinc/00/65/69/806006569.db2.gz AUYKNQXDPYQXCW-JTQLQIEISA-N 1 0 252.314 0.939 20 10 CCCDRO COc1cc(CN2CCNC[C@@]23CC[NH2+]C3)cc(O)c1O ZINC001234983448 806327477 /nfs/dbraw/zinc/32/74/77/806327477.db2.gz VVXNZBQBFGDPBV-HNNXBMFYSA-N 1 0 293.367 0.244 20 10 CCCDRO COc1cc(CN2CCN[C@]3(CC[NH2+]C3)C2)cc(O)c1O ZINC001235052312 806354571 /nfs/dbraw/zinc/35/45/71/806354571.db2.gz OTFYVZDUQMJSQR-HNNXBMFYSA-N 1 0 293.367 0.244 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(OC)cc1O ZINC001236197336 806550500 /nfs/dbraw/zinc/55/05/00/806550500.db2.gz QJKKYBSEKLKKES-JQWIXIFHSA-N 1 0 280.324 0.475 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc(O)c1O ZINC001236297412 806563456 /nfs/dbraw/zinc/56/34/56/806563456.db2.gz ZWFDYDIDNFVSJR-UWVGGRQHSA-N 1 0 250.298 0.510 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1[NH3+] ZINC001236343393 806572718 /nfs/dbraw/zinc/57/27/18/806572718.db2.gz PITYZNSUZXZWEY-ZJUUUORDSA-N 1 0 266.297 0.030 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1[NH3+] ZINC001236345155 806575125 /nfs/dbraw/zinc/57/51/25/806575125.db2.gz CZSPQFHEVPRDHD-KBPBESRZSA-N 1 0 291.395 0.993 20 10 CCCDRO CN(CCOCC[NH3+])C(=O)NCc1ccc(N)cc1 ZINC001120584716 798877652 /nfs/dbraw/zinc/87/76/52/798877652.db2.gz SCVMPTYWBMGFNO-UHFFFAOYSA-N 1 0 266.345 0.386 20 10 CCCDRO O=C(NCc1ccccc1O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121827863 799074389 /nfs/dbraw/zinc/07/43/89/799074389.db2.gz BWOZBPHDENZKIR-CYBMUJFWSA-N 1 0 276.336 0.777 20 10 CCCDRO CC[NH+]1CCN(C2CN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC001123964077 799517866 /nfs/dbraw/zinc/51/78/66/799517866.db2.gz CYBGTTKRHFUUSB-UHFFFAOYSA-N 1 0 295.408 0.916 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001140744488 799938067 /nfs/dbraw/zinc/93/80/67/799938067.db2.gz ZBCKTWBYQTYWJO-WCQYABFASA-N 1 0 267.325 0.581 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)ccc21 ZINC001141140898 799984821 /nfs/dbraw/zinc/98/48/21/799984821.db2.gz RHVUDWWAWAUKDV-DZGCQCFKSA-N 1 0 292.379 0.690 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(O)ccc1O ZINC001141161739 799986456 /nfs/dbraw/zinc/98/64/56/799986456.db2.gz WMBOEWMGICFGGX-GFCCVEGCSA-N 1 0 266.341 0.860 20 10 CCCDRO COCC[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037996 800586298 /nfs/dbraw/zinc/58/62/98/800586298.db2.gz YHLJTRBJKZNKFH-UHFFFAOYSA-N 1 0 293.327 0.815 20 10 CCCDRO CC1([NH3+])CN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)C1 ZINC001157665760 801450887 /nfs/dbraw/zinc/45/08/87/801450887.db2.gz XFGRJEQBGNGIOK-UHFFFAOYSA-N 1 0 290.275 0.377 20 10 CCCDRO C[C@@H]([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924038 802047988 /nfs/dbraw/zinc/04/79/88/802047988.db2.gz ALDIXZWNGFVGOK-MRVPVSSYSA-N 1 0 250.298 0.720 20 10 CCCDRO [NH3+]C[C@@H](O)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924059 802048473 /nfs/dbraw/zinc/04/84/73/802048473.db2.gz ASSRSUMHNDOOHQ-NSHDSACASA-N 1 0 280.324 0.082 20 10 CCCDRO Cn1ccc(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)cc1=O ZINC001240986855 806961377 /nfs/dbraw/zinc/96/13/77/806961377.db2.gz XPMQISKLVOPEBY-LBPRGKRZSA-N 1 0 272.308 0.583 20 10 CCCDRO Oc1ccc([C@H](O)C[NH2+]C2CCOCC2)cc1O ZINC001255030082 808309291 /nfs/dbraw/zinc/30/92/91/808309291.db2.gz INJOBAZYTOGMAS-CYBMUJFWSA-N 1 0 253.298 0.900 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CC(C(=O)N(C)C)C2)c1 ZINC001203678602 803041398 /nfs/dbraw/zinc/04/13/98/803041398.db2.gz NSACNBATLIITAV-UHFFFAOYSA-N 1 0 264.325 0.921 20 10 CCCDRO C[N@H+](CCN1CCOCC1)Cc1ccc(O)c(O)c1 ZINC001203873555 803049168 /nfs/dbraw/zinc/04/91/68/803049168.db2.gz FRXWHEPYSZKNMX-UHFFFAOYSA-N 1 0 266.341 0.862 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874440 803049319 /nfs/dbraw/zinc/04/93/19/803049319.db2.gz XZOJFRZCKNMCQT-SNVBAGLBSA-N 1 0 250.298 0.795 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875928 803050599 /nfs/dbraw/zinc/05/05/99/803050599.db2.gz ZEFUGLFSJBTAFA-MNOVXSKESA-N 1 0 253.298 0.273 20 10 CCCDRO COc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)cc(O)c1O ZINC001204342767 803080241 /nfs/dbraw/zinc/08/02/41/803080241.db2.gz MPTNOKOJAAYRKT-LBPRGKRZSA-N 1 0 296.367 0.869 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001205352090 803136343 /nfs/dbraw/zinc/13/63/43/803136343.db2.gz FAUJZBZLEMDOKS-HZPDHXFCSA-N 1 0 291.395 0.152 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)c(Cl)c1 ZINC001205369739 803138283 /nfs/dbraw/zinc/13/82/83/803138283.db2.gz GBDSFHNFYPIKRV-ZYHUDNBSSA-N 1 0 272.732 0.558 20 10 CCCDRO COc1cc(C)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206102322 803208021 /nfs/dbraw/zinc/20/80/21/803208021.db2.gz YLRJIFKZRATHAG-CHWSQXEVSA-N 1 0 266.341 0.603 20 10 CCCDRO [NH3+][C@H]1CN(Cc2cc(O)c(O)cc2O)CC(F)(F)C1 ZINC001206139570 803209621 /nfs/dbraw/zinc/20/96/21/803209621.db2.gz KUFGZIGIHVXIEO-MRVPVSSYSA-N 1 0 274.267 0.972 20 10 CCCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001206434375 803242512 /nfs/dbraw/zinc/24/25/12/803242512.db2.gz IDSKMMPTDKDPFH-IUCAKERBSA-N 1 0 256.277 0.675 20 10 CCCDRO CC(=O)OC[C@H]([NH3+])C(=O)NCc1c(C)cc(C)cc1O ZINC001220825272 804674473 /nfs/dbraw/zinc/67/44/73/804674473.db2.gz AHXCNFNSQKRRMY-LBPRGKRZSA-N 1 0 280.324 0.516 20 10 CCCDRO Oc1ccc([C@H](O)CN[C@H]2CCC[NH2+]C2)cc1O ZINC001246074847 807142269 /nfs/dbraw/zinc/14/22/69/807142269.db2.gz QYTDFHCQLHGNPA-GXFFZTMASA-N 1 0 252.314 0.473 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1 ZINC001246198945 807183999 /nfs/dbraw/zinc/18/39/99/807183999.db2.gz JBZHQFNXZUHSDT-STQMWFEESA-N 1 0 276.336 0.615 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CN1 ZINC001246238236 807195772 /nfs/dbraw/zinc/19/57/72/807195772.db2.gz DMRFQMURTOXGGR-ONGXEEELSA-N 1 0 266.297 0.091 20 10 CCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001249201460 807547200 /nfs/dbraw/zinc/54/72/00/807547200.db2.gz TUFIBFMXYFYWSI-GFCCVEGCSA-N 1 0 279.336 0.922 20 10 CCCDRO CCOC(=O)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253788799 808139542 /nfs/dbraw/zinc/13/95/42/808139542.db2.gz KGWVBUUWVPBKPD-GXFFZTMASA-N 1 0 299.323 0.035 20 10 CCCDRO CCOc1cccc(C[NH2+][C@H]2CCNC2=O)c1O ZINC000693938592 811245318 /nfs/dbraw/zinc/24/53/18/811245318.db2.gz MVWHJYZAONKEAO-JTQLQIEISA-N 1 0 250.298 0.769 20 10 CCCDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(N)cccc1OC ZINC001167901362 812499659 /nfs/dbraw/zinc/49/96/59/812499659.db2.gz PZYORPKYBCOTFN-SNVBAGLBSA-N 1 0 267.329 0.970 20 10 CCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(O)c1O)C2 ZINC001269608075 813444260 /nfs/dbraw/zinc/44/42/60/813444260.db2.gz SHAMQXOMFDCDRG-ZJUUUORDSA-N 1 0 262.309 0.874 20 10 CCCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270069031 813612639 /nfs/dbraw/zinc/61/26/39/813612639.db2.gz HTBSLVGVCHEWEY-UWVGGRQHSA-N 1 0 278.308 0.722 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cccc2F)C[C@@H]1[NH3+] ZINC001236342496 817266852 /nfs/dbraw/zinc/26/68/52/817266852.db2.gz JMYOQJGICVTQIG-KOLCDFICSA-N 1 0 268.288 0.463 20 10 CCCDRO [NH3+][C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1F ZINC001157537050 837104767 /nfs/dbraw/zinc/10/47/67/837104767.db2.gz UDHILHHLTUUZTJ-WMSLEYKJSA-N 1 0 266.272 0.619 20 10 CCCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499882 840066388 /nfs/dbraw/zinc/06/63/88/840066388.db2.gz NLXUXZRAZNJBLE-JTQLQIEISA-N 1 0 267.281 0.941 20 10 CCCDRO COC(=O)[C@@H](C)N(C)Cc1c(O)cc(O)cc1O ZINC001144514770 840075574 /nfs/dbraw/zinc/07/55/74/840075574.db2.gz RKUUMZNEIZZCAU-SSDOTTSWSA-N 1 0 255.270 0.797 20 10 CCCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000716884707 841691598 /nfs/dbraw/zinc/69/15/98/841691598.db2.gz JGXWIWZKCOOJDV-CYBMUJFWSA-N 1 0 255.314 0.888 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875931 846893710 /nfs/dbraw/zinc/89/37/10/846893710.db2.gz ZEFUGLFSJBTAFA-WDEREUQCSA-N 1 0 253.298 0.273 20 10 CCCDRO CN1CC[C@@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001273843686 847654720 /nfs/dbraw/zinc/65/47/20/847654720.db2.gz UIYDQSBEBFBGRS-HNNXBMFYSA-N 1 0 292.335 0.858 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)c1c(C[NH3+])cnn1C ZINC000719296900 849306736 /nfs/dbraw/zinc/30/67/36/849306736.db2.gz IOBNIMUNXQWIAE-UHFFFAOYSA-N 1 0 274.324 0.857 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1C[C@H](O)C1)OCO2 ZINC000720985165 849575029 /nfs/dbraw/zinc/57/50/29/849575029.db2.gz IYVNRYDKDIWGBM-CZMCAQCFSA-N 1 0 251.282 0.981 20 10 CCCDRO CN1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001255419712 853861457 /nfs/dbraw/zinc/86/14/57/853861457.db2.gz DHEVSZFTGULVRA-SNVBAGLBSA-N 1 0 250.298 0.574 20 10 CCCDRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1O ZINC000390196524 854024134 /nfs/dbraw/zinc/02/41/34/854024134.db2.gz USWOGLUHDMQAON-SNVBAGLBSA-N 1 0 272.370 0.982 20 10 CCCDRO CON(C)C(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397534019 854430042 /nfs/dbraw/zinc/43/00/42/854430042.db2.gz IXCFSJQBRQNRLL-UHFFFAOYSA-N 1 0 250.298 0.731 20 10 CCCDRO COc1cccc(C[NH2+]CCOCCCO)c1O ZINC001323979895 912609965 /nfs/dbraw/zinc/60/99/65/912609965.db2.gz FBVGEENPNBODAU-UHFFFAOYSA-N 1 0 255.314 0.889 20 10 CCCDRO OCCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203550257 897682618 /nfs/dbraw/zinc/68/26/18/897682618.db2.gz OKJGHILKZJFEAI-UHFFFAOYSA-N 1 0 250.342 0.892 20 10 CCCDRO COc1ccc(N(C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC001327091119 914366381 /nfs/dbraw/zinc/36/63/81/914366381.db2.gz YWZBHHZIWUKIBT-UHFFFAOYSA-N 1 0 293.367 0.572 20 10 CCCDRO COc1cc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)cc(O)c1O ZINC001193097150 900033435 /nfs/dbraw/zinc/03/34/35/900033435.db2.gz GAGIJHNQHSPKLL-SNVBAGLBSA-N 1 0 278.308 0.637 20 10 CCCDRO C[C@]12C[NH+](Cc3ccc(N)cc3)C[C@]1(C)C(=O)NC2=O ZINC001337838620 921297640 /nfs/dbraw/zinc/29/76/40/921297640.db2.gz QZJZNKLBNMUYRW-HUUCEWRRSA-N 1 0 273.336 0.753 20 10 CCCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001304053856 908136750 /nfs/dbraw/zinc/13/67/50/908136750.db2.gz UHZTVXOQZFJKEU-JTQLQIEISA-N 1 0 250.298 0.808 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC001330865991 916934733 /nfs/dbraw/zinc/93/47/33/916934733.db2.gz FSZGTVIQVCDNTP-LBPRGKRZSA-N 1 0 251.330 0.291 20 10 CCCDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331155924 917134169 /nfs/dbraw/zinc/13/41/69/917134169.db2.gz SDKADIOOANFXAO-NSHDSACASA-N 1 0 289.335 0.103 20 10 CCCDRO [NH3+]C1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC001331637556 917467509 /nfs/dbraw/zinc/46/75/09/917467509.db2.gz PSXHOHHOCIJDTE-UHFFFAOYSA-N 1 0 289.335 0.232 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H]2COCCN2C)c(O)c1OC ZINC001335093770 919951952 /nfs/dbraw/zinc/95/19/52/919951952.db2.gz JVGNWOSEILFMKT-LBPRGKRZSA-N 1 0 296.367 0.830 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC001344369902 923586786 /nfs/dbraw/zinc/58/67/86/923586786.db2.gz YDYWSUKIQIWNIP-JOYOIKCWSA-N 1 0 251.330 0.448 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092067636 349481033 /nfs/dbraw/zinc/48/10/33/349481033.db2.gz AKEBKEWNGLCEJW-CQSZACIVSA-N 1 0 297.424 0.876 20 10 CCCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000230988747 352124342 /nfs/dbraw/zinc/12/43/42/352124342.db2.gz OZNMEOCNVGNMGU-UHFFFAOYSA-N 1 0 272.370 0.682 20 10 CCCDRO Cc1cccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000271744210 353034680 /nfs/dbraw/zinc/03/46/80/353034680.db2.gz ANSCGPQECLVQAL-HNNXBMFYSA-N 1 0 294.395 0.826 20 10 CCCDRO CN(C)c1ccc([C@H](CNS(C)(=O)=O)[NH+](C)C)cc1 ZINC000005098820 388762723 /nfs/dbraw/zinc/76/27/23/388762723.db2.gz JMPWECBBCQJAMC-ZDUSSCGKSA-N 1 0 285.413 0.905 20 10 CCCDRO COCC[N@H+](CCO)Cc1cccc(OC)c1O ZINC000093006010 389033665 /nfs/dbraw/zinc/03/36/65/389033665.db2.gz IJXHSGWRJKYFRH-UHFFFAOYSA-N 1 0 255.314 0.842 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372733908 389456567 /nfs/dbraw/zinc/45/65/67/389456567.db2.gz AFTOWFMGPGDHAV-GFCCVEGCSA-N 1 0 284.381 0.954 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)c1O ZINC000529377956 269870734 /nfs/dbraw/zinc/87/07/34/269870734.db2.gz VRTMOXYUFYUASP-LLVKDONJSA-N 1 0 295.339 0.188 20 10 CCCDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000377160997 268051697 /nfs/dbraw/zinc/05/16/97/268051697.db2.gz IARBRYYFOLWTKF-SECBINFHSA-N 1 0 278.308 0.818 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)COC)c1 ZINC000279644860 521155420 /nfs/dbraw/zinc/15/54/20/521155420.db2.gz DHZNBGMFGRHSDQ-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1O ZINC000278377374 521346605 /nfs/dbraw/zinc/34/66/05/521346605.db2.gz LGHHLGZVCPIWRA-GHMZBOCLSA-N 1 0 253.298 0.328 20 10 CCCDRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000237161364 521770314 /nfs/dbraw/zinc/77/03/14/521770314.db2.gz RLYFCQHPEODOJP-NSHDSACASA-N 1 0 290.367 0.617 20 10 CCCDRO COCC[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000282147167 521808430 /nfs/dbraw/zinc/80/84/30/521808430.db2.gz HLYZBWUBPRYAMM-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO CN1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000765636222 581530576 /nfs/dbraw/zinc/53/05/76/581530576.db2.gz OISGXHYYKLBHIF-UHFFFAOYSA-N 1 0 288.395 0.670 20 10 CCCDRO CCN(C)c1ccc(C[NH+](CCO)CCO)cc1 ZINC000773747407 581940321 /nfs/dbraw/zinc/94/03/21/581940321.db2.gz FSVGIHMGLVUDLT-UHFFFAOYSA-N 1 0 252.358 0.929 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000895461196 617175497 /nfs/dbraw/zinc/17/54/97/617175497.db2.gz ZGHUGGPHXQFMHV-NEPJUHHUSA-N 1 0 267.325 0.637 20 10 CCCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CO)CC2)cc1 ZINC000929317018 617267598 /nfs/dbraw/zinc/26/75/98/617267598.db2.gz UXWUSSXREKGRJA-CQSZACIVSA-N 1 0 280.368 0.561 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)CN2CC[NH2+]CC2)c1 ZINC000876879181 617273929 /nfs/dbraw/zinc/27/39/29/617273929.db2.gz OOSAYGSNBQMNEI-LLVKDONJSA-N 1 0 293.367 0.483 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)CN2CC[NH2+]CC2)c1 ZINC000876879182 617274096 /nfs/dbraw/zinc/27/40/96/617274096.db2.gz OOSAYGSNBQMNEI-NSHDSACASA-N 1 0 293.367 0.483 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000132574405 617272654 /nfs/dbraw/zinc/27/26/54/617272654.db2.gz RDDKUEQSAJPNQI-YGRLFVJLSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c1O ZINC000846143709 617307575 /nfs/dbraw/zinc/30/75/75/617307575.db2.gz FXGLXWHXBSYLFM-GHMZBOCLSA-N 1 0 268.357 0.974 20 10 CCCDRO CC(C)([NH3+])CNC(=O)NCCc1ccc(N)cc1 ZINC000841949735 614162015 /nfs/dbraw/zinc/16/20/15/614162015.db2.gz GKZRKWKVQMYASC-UHFFFAOYSA-N 1 0 250.346 0.848 20 10 CCCDRO CC[N@H+](CC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468166 614958408 /nfs/dbraw/zinc/95/84/08/614958408.db2.gz ACZZLBZMPRBGQA-UHFFFAOYSA-N 1 0 291.395 0.955 20 10 CCCDRO CC[N@H+](CCC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000896715299 615041025 /nfs/dbraw/zinc/04/10/25/615041025.db2.gz PCJNUDCVQHNGEA-UHFFFAOYSA-N 1 0 266.297 0.818 20 10 CCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132915670 615079128 /nfs/dbraw/zinc/07/91/28/615079128.db2.gz YJURJWYJWLXOBH-UHFFFAOYSA-N 1 0 295.358 0.888 20 10 CCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035303 615086259 /nfs/dbraw/zinc/08/62/59/615086259.db2.gz FHAOMFREFCKBCA-UHFFFAOYSA-N 1 0 292.383 0.095 20 10 CCCDRO CCON(C)C(=O)C[NH2+]Cc1c(O)cccc1OC ZINC000846063051 615337056 /nfs/dbraw/zinc/33/70/56/615337056.db2.gz PLUGNKUOUCICDT-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1F ZINC000846672727 615912902 /nfs/dbraw/zinc/91/29/02/615912902.db2.gz JPRSOEUUETVADE-ZDUSSCGKSA-N 1 0 296.390 0.787 20 10 CCCDRO C[NH+](C)CC[C@H](N)C(=O)NCc1ccccc1O ZINC000846678175 615912914 /nfs/dbraw/zinc/91/29/14/615912914.db2.gz WFRURXPGQHSUDL-NSHDSACASA-N 1 0 251.330 0.287 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NCCC[NH3+])cc1 ZINC000841651770 616014956 /nfs/dbraw/zinc/01/49/56/616014956.db2.gz ALSYKFNIRRIFTP-UHFFFAOYSA-N 1 0 250.346 0.901 20 10 CCCDRO CN(C)c1ccc(Cn2cc(CC[C@H](O)C[NH3+])nn2)cc1 ZINC000881270890 616016024 /nfs/dbraw/zinc/01/60/24/616016024.db2.gz DNBWYHHYIUGAIT-HNNXBMFYSA-N 1 0 289.383 0.645 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CSCN2)cc1 ZINC000841846211 616018984 /nfs/dbraw/zinc/01/89/84/616018984.db2.gz KYSPTIWRMUKPIX-STQMWFEESA-N 1 0 294.424 0.531 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cc[nH]n2)cc1 ZINC000832284037 616019146 /nfs/dbraw/zinc/01/91/46/616019146.db2.gz GWNLFYRTABOIOM-AWEZNQCLSA-N 1 0 287.367 0.834 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CSCN2)cc1 ZINC000841846209 616019684 /nfs/dbraw/zinc/01/96/84/616019684.db2.gz KYSPTIWRMUKPIX-OLZOCXBDSA-N 1 0 294.424 0.531 20 10 CCCDRO CN(CCN1CC[NH2+]CC1)C(=O)Cc1ccc(N)cc1 ZINC000843337665 616088072 /nfs/dbraw/zinc/08/80/72/616088072.db2.gz JHXBEWDIQXSBIW-UHFFFAOYSA-N 1 0 276.384 0.175 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852817279 616170749 /nfs/dbraw/zinc/17/07/49/616170749.db2.gz UQLXAWFTPBIVCE-SNVBAGLBSA-N 1 0 263.297 0.454 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)c1cn(CCC[NH3+])nn1 ZINC000827206116 616170886 /nfs/dbraw/zinc/17/08/86/616170886.db2.gz YMUPEAUGYANKFR-UHFFFAOYSA-N 1 0 289.339 0.605 20 10 CCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922536258 616250419 /nfs/dbraw/zinc/25/04/19/616250419.db2.gz STQUOEMEIIDCMR-MRXNPFEDSA-N 1 0 292.379 0.404 20 10 CCCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000840957359 616387248 /nfs/dbraw/zinc/38/72/48/616387248.db2.gz LIDORELOKTXBCU-CYBMUJFWSA-N 1 0 278.352 0.929 20 10 CCCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c(O)cccc2OC)C1 ZINC000843433616 616478642 /nfs/dbraw/zinc/47/86/42/616478642.db2.gz AWZIAPYGWWJDQJ-MNOVXSKESA-N 1 0 295.335 0.757 20 10 CCCDRO COCC[NH2+]CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000892051471 616508937 /nfs/dbraw/zinc/50/89/37/616508937.db2.gz TYOQUDZKXOQLRN-UHFFFAOYSA-N 1 0 279.340 0.653 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894166700 616868289 /nfs/dbraw/zinc/86/82/89/616868289.db2.gz FTLAGWGKAKXOBH-SNVBAGLBSA-N 1 0 271.313 0.506 20 10 CCCDRO COCC[N@H+](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875216319 616958673 /nfs/dbraw/zinc/95/86/73/616958673.db2.gz QIGUJNTVTNIFDK-UHFFFAOYSA-N 1 0 293.367 0.996 20 10 CCCDRO COc1c(O)c(C[NH2+][C@@H]2COC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000843427422 617149115 /nfs/dbraw/zinc/14/91/15/617149115.db2.gz AHVRYSUIUKNMPR-MWLCHTKSSA-N 1 0 298.295 0.812 20 10 CCCDRO COc1c(O)c(C[NH2+][C@H]2COC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000839194475 617149230 /nfs/dbraw/zinc/14/92/30/617149230.db2.gz AHVRYSUIUKNMPR-GXSJLCMTSA-N 1 0 298.295 0.812 20 10 CCCDRO O=C(NC[C@H]1C[NH2+]CCO1)N1Cc2cccc(O)c2C1 ZINC000892182414 622651943 /nfs/dbraw/zinc/65/19/43/622651943.db2.gz ZKBFXVUSTJQYBD-LLVKDONJSA-N 1 0 277.324 0.406 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000052809729 623486683 /nfs/dbraw/zinc/48/66/83/623486683.db2.gz SKKOIKKDXGUDQH-CYBMUJFWSA-N 1 0 265.357 0.733 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)COCC[NH3+])cc1 ZINC000093231345 624852978 /nfs/dbraw/zinc/85/29/78/624852978.db2.gz STMMBUOQNKOHMZ-UHFFFAOYSA-N 1 0 265.357 0.686 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1 ZINC000903969513 634702081 /nfs/dbraw/zinc/70/20/81/634702081.db2.gz ZGSJOAHZDWOKLH-CYBMUJFWSA-N 1 0 298.408 0.567 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1 ZINC000903969516 634702878 /nfs/dbraw/zinc/70/28/78/634702878.db2.gz ZGSJOAHZDWOKLH-ZDUSSCGKSA-N 1 0 298.408 0.567 20 10 CCCDRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccccc1O ZINC000925797172 631252436 /nfs/dbraw/zinc/25/24/36/631252436.db2.gz PHVWLKWSNSLOQB-VXGBXAGGSA-N 1 0 298.408 0.820 20 10 CCCDRO Nc1ccc(CCNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000238125712 631440964 /nfs/dbraw/zinc/44/09/64/631440964.db2.gz XNMUFZKMNOMSMC-AWEZNQCLSA-N 1 0 277.368 0.696 20 10 CCCDRO COCC[NH2+]CC(=O)NCc1ccc(N(C)C)cc1C ZINC000237198816 631932494 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CCOc1cccc(C[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000323903067 637100822 /nfs/dbraw/zinc/10/08/22/637100822.db2.gz YVJFUJYONATFLR-MNOVXSKESA-N 1 0 253.298 0.640 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922308541 639646530 /nfs/dbraw/zinc/64/65/30/639646530.db2.gz DLQPJRPXJFOLMK-GXFFZTMASA-N 1 0 251.326 0.843 20 10 CCCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]1O ZINC000922341796 639661241 /nfs/dbraw/zinc/66/12/41/639661241.db2.gz WABCRQPOWJEBBA-ZSOGYDGISA-N 1 0 263.337 0.985 20 10 CCCDRO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839532200 640334784 /nfs/dbraw/zinc/33/47/84/640334784.db2.gz KDGXQQFXTZJITQ-SWLSCSKDSA-N 1 0 291.395 0.824 20 10 CCCDRO Nc1ccc(CCNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000818545352 641334331 /nfs/dbraw/zinc/33/43/31/641334331.db2.gz ZTHHNQBPZJRLNK-UHFFFAOYSA-N 1 0 263.341 0.306 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000824892795 641851237 /nfs/dbraw/zinc/85/12/37/641851237.db2.gz CAAKNSFDIYEXMV-PHIMTYICSA-N 1 0 260.293 0.405 20 10 CCCDRO O=C(NCCCN1CC[NH2+]CC1)NCc1ccccc1O ZINC000841920448 642853353 /nfs/dbraw/zinc/85/33/53/642853353.db2.gz VSKYIPIECDTIEN-UHFFFAOYSA-N 1 0 292.383 0.487 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842153590 642877699 /nfs/dbraw/zinc/87/76/99/642877699.db2.gz NWVFGLYKAKESNJ-LLVKDONJSA-N 1 0 292.383 0.141 20 10 CCCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000843058856 642981259 /nfs/dbraw/zinc/98/12/59/642981259.db2.gz ZMMYTUYNYNMPDH-YMTOWFKASA-N 1 0 280.324 0.669 20 10 CCCDRO O=C(C=C1CC[NH2+]CC1)N1CC(=O)Nc2cnccc21 ZINC000852862594 644029668 /nfs/dbraw/zinc/02/96/68/644029668.db2.gz CIRQFADZUCWDAO-UHFFFAOYSA-N 1 0 272.308 0.677 20 10 CCCDRO C[S@@](=O)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116919480 644725119 /nfs/dbraw/zinc/72/51/19/644725119.db2.gz WPIORABAZIHHPC-SFHVURJKSA-N 1 0 271.338 0.979 20 10 CCCDRO Cc1cc(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000862446065 645000229 /nfs/dbraw/zinc/00/02/29/645000229.db2.gz OMFIXGSJNAQOGX-RYUDHWBXSA-N 1 0 257.717 0.891 20 10 CCCDRO O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]12 ZINC000863338916 645082710 /nfs/dbraw/zinc/08/27/10/645082710.db2.gz XFZJHYQIUTUGQO-IRUJWGPZSA-N 1 0 291.303 0.423 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)cc1 ZINC000876528804 646619581 /nfs/dbraw/zinc/61/95/81/646619581.db2.gz ZRBNUVJBHNNREP-GHMZBOCLSA-N 1 0 269.295 0.768 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876527873 646619819 /nfs/dbraw/zinc/61/98/19/646619819.db2.gz MMGHOPUYOXEWCR-AAEUAGOBSA-N 1 0 265.332 0.875 20 10 CCCDRO O=C(NCc1ccccc1O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876877731 646688465 /nfs/dbraw/zinc/68/84/65/646688465.db2.gz FXBWZDIMGSBDIM-JQWIXIFHSA-N 1 0 252.289 0.956 20 10 CCCDRO Nc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)c(N)n1 ZINC000876996442 646713605 /nfs/dbraw/zinc/71/36/05/646713605.db2.gz VMHJGHWHZDPLGW-UHFFFAOYSA-N 1 0 271.324 0.866 20 10 CCCDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)c(O)c1 ZINC000877518726 646821207 /nfs/dbraw/zinc/82/12/07/646821207.db2.gz FYZOOCHWBKJHBM-UHFFFAOYSA-N 1 0 287.385 0.186 20 10 CCCDRO COc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2CO)cc1OC ZINC000877643763 646831422 /nfs/dbraw/zinc/83/14/22/646831422.db2.gz IQZGGBOKDRBKNZ-GFCCVEGCSA-N 1 0 296.367 0.518 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000877659337 646832847 /nfs/dbraw/zinc/83/28/47/646832847.db2.gz PKISLKGEROQNTP-UHFFFAOYSA-N 1 0 299.396 0.281 20 10 CCCDRO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929184142 648712159 /nfs/dbraw/zinc/71/21/59/648712159.db2.gz CFLBCJYQDBAVJN-BBRMVZONSA-N 1 0 294.395 0.697 20 10 CCCDRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000158802842 649310768 /nfs/dbraw/zinc/31/07/68/649310768.db2.gz VSWQQDOKMHSLEO-LLVKDONJSA-N 1 0 262.309 0.938 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCN1CCO ZINC000190236909 649439061 /nfs/dbraw/zinc/43/90/61/649439061.db2.gz OKJAJNQDWRGAQU-GFCCVEGCSA-N 1 0 250.342 0.891 20 10 CCCDRO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000083410856 649604905 /nfs/dbraw/zinc/60/49/05/649604905.db2.gz NQTDDAGRTDRZEU-NSHDSACASA-N 1 0 255.339 0.977 20 10 CCCDRO NC(=O)c1n[nH]c2c1CCN(Cc1ccccc1O)C2 ZINC001277442634 805580158 /nfs/dbraw/zinc/58/01/58/805580158.db2.gz YBRHRIPZZVGMIJ-UHFFFAOYSA-N 1 0 272.308 0.773 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c1 ZINC001277463792 805646889 /nfs/dbraw/zinc/64/68/89/805646889.db2.gz OBKRKNNZSOEZKB-LLVKDONJSA-N 1 0 262.309 0.708 20 10 CCCDRO COc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)cc1O ZINC001231634008 805821478 /nfs/dbraw/zinc/82/14/78/805821478.db2.gz FWPZMNZNNFSMLW-LBPRGKRZSA-N 1 0 294.351 0.623 20 10 CCCDRO Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001231842159 805861775 /nfs/dbraw/zinc/86/17/75/805861775.db2.gz KHOCCEUESVBSKY-RISCZKNCSA-N 1 0 251.326 0.794 20 10 CCCDRO Oc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc(O)c1O ZINC001233009812 806004518 /nfs/dbraw/zinc/00/45/18/806004518.db2.gz CAYHCTSBJVUJOL-LBPRGKRZSA-N 1 0 294.351 0.710 20 10 CCCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233016715 806008236 /nfs/dbraw/zinc/00/82/36/806008236.db2.gz LVQFJIOQVVLGEF-UHFFFAOYSA-N 1 0 268.313 0.714 20 10 CCCDRO O=C1CN(Cc2cc(O)c(O)cc2O)CCCN1 ZINC001233483392 806058208 /nfs/dbraw/zinc/05/82/08/806058208.db2.gz YDDLDNYSXOZMRU-UHFFFAOYSA-N 1 0 252.270 0.125 20 10 CCCDRO Oc1cc(O)c(C[N@H+]2CCc3nncn3CC2)cc1O ZINC001233483010 806058254 /nfs/dbraw/zinc/05/82/54/806058254.db2.gz LBCUCMFYILHRHG-UHFFFAOYSA-N 1 0 276.296 0.453 20 10 CCCDRO O=C1CC2(CN1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233482283 806058890 /nfs/dbraw/zinc/05/88/90/806058890.db2.gz IHQGFSAYIUFPNZ-UHFFFAOYSA-N 1 0 292.335 0.906 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(O)c(C)c2O)C[C@H]1[NH3+] ZINC001236351309 806582611 /nfs/dbraw/zinc/58/26/11/806582611.db2.gz UJPFNTZNGAGCJP-GHMZBOCLSA-N 1 0 280.324 0.338 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@](C)(O)C2)cc1OC ZINC001236750319 806607811 /nfs/dbraw/zinc/60/78/11/806607811.db2.gz QXPGCJFMBYHLNM-OAHLLOKOSA-N 1 0 297.351 0.993 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001236808593 806610693 /nfs/dbraw/zinc/61/06/93/806610693.db2.gz QQWCTVHFWOUYTA-ABAIWWIYSA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001236807641 806613024 /nfs/dbraw/zinc/61/30/24/806613024.db2.gz HLGHGPBHANVWBH-HZMBPMFUSA-N 1 0 267.325 0.494 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN3CC(O)C3)c(F)c2)CC1 ZINC001236933110 806620831 /nfs/dbraw/zinc/62/08/31/806620831.db2.gz UZTSHEUEXHYKNV-UHFFFAOYSA-N 1 0 279.359 0.754 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237669840 806708186 /nfs/dbraw/zinc/70/81/86/806708186.db2.gz PGOFTMHYKICYMZ-GWCFXTLKSA-N 1 0 297.351 0.585 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)c(O)c1 ZINC001122065036 799134371 /nfs/dbraw/zinc/13/43/71/799134371.db2.gz JYJOUVJDZFOLSC-HZMBPMFUSA-N 1 0 280.324 0.130 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)CNCC[NH3+])cc1 ZINC001122128281 799150439 /nfs/dbraw/zinc/15/04/39/799150439.db2.gz WVGOIBSPGBGXER-UHFFFAOYSA-N 1 0 294.399 0.138 20 10 CCCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001140178391 799886360 /nfs/dbraw/zinc/88/63/60/799886360.db2.gz KKVLEPFOODIIGV-WCQYABFASA-N 1 0 251.326 0.794 20 10 CCCDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001140718543 799936637 /nfs/dbraw/zinc/93/66/37/799936637.db2.gz GHCWIVWFYKIGFB-HBYGRHMLSA-N 1 0 276.336 0.659 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)ccc21 ZINC001141139822 799982899 /nfs/dbraw/zinc/98/28/99/799982899.db2.gz CPHBFCWZWXKQPR-OCCSQVGLSA-N 1 0 278.352 0.300 20 10 CCCDRO O=C1NC(=O)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141159272 799985016 /nfs/dbraw/zinc/98/50/16/799985016.db2.gz BSGHBFNDGXIOPC-UHFFFAOYSA-N 1 0 291.307 0.272 20 10 CCCDRO C[NH+]1CC(C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001142595604 800137200 /nfs/dbraw/zinc/13/72/00/800137200.db2.gz GTODWUPCZQIVPW-UHFFFAOYSA-N 1 0 276.336 0.934 20 10 CCCDRO COc1cc(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc(O)c1O ZINC001157556307 801417223 /nfs/dbraw/zinc/41/72/23/801417223.db2.gz ZISVOUHZZUSWOZ-SFYZADRCSA-N 1 0 270.260 0.228 20 10 CCCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001203603228 803037674 /nfs/dbraw/zinc/03/76/74/803037674.db2.gz LAGRWBZRNOKFSL-NEPJUHHUSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1 ZINC001203628475 803038963 /nfs/dbraw/zinc/03/89/63/803038963.db2.gz AJDPKUPYCNPHCA-GXFFZTMASA-N 1 0 276.336 0.969 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c1 ZINC001203669542 803040715 /nfs/dbraw/zinc/04/07/15/803040715.db2.gz FAONFNCXGPMINQ-AWEZNQCLSA-N 1 0 267.325 0.984 20 10 CCCDRO NC(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203874318 803050027 /nfs/dbraw/zinc/05/00/27/803050027.db2.gz TXZQOCGLVPWBHQ-UHFFFAOYSA-N 1 0 265.313 0.731 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276543 803077357 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VOCIZKKRXOHSBQ-GFCCVEGCSA-N 1 0 289.335 0.088 20 10 CCCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccc(N)cc1 ZINC001334775316 919756539 /nfs/dbraw/zinc/75/65/39/919756539.db2.gz VRIVCTMFRZSLBM-UHFFFAOYSA-N 1 0 271.386 0.686 20 10 CCCDRO COC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001336800102 921018334 /nfs/dbraw/zinc/01/83/34/921018334.db2.gz OMRFJFBNIUTPFS-GXTWGEPZSA-N 1 0 280.368 0.871 20 10 CCCDRO O=C(NCc1cccc(O)c1O)C12CC[NH+](CC1)C2 ZINC001348048893 924585570 /nfs/dbraw/zinc/58/55/70/924585570.db2.gz YCHMSLXQXAOSKU-UHFFFAOYSA-N 1 0 262.309 0.810 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1O ZINC001350225781 925152382 /nfs/dbraw/zinc/15/23/82/925152382.db2.gz XNQGRODJTIIQIN-OBJOEFQTSA-N 1 0 289.379 0.958 20 10 CCCDRO Nc1ccc(CNC(=O)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC001356227439 926356334 /nfs/dbraw/zinc/35/63/34/926356334.db2.gz IBAFVHMVDCCBOD-AWEZNQCLSA-N 1 0 263.341 0.390 20 10 CCCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NCCF ZINC000282650629 353442272 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COc1cccc(C[N@H+](C)[C@]2(CO)CCOC2)c1O ZINC000862426512 617296640 /nfs/dbraw/zinc/29/66/40/617296640.db2.gz HXWAPQQQBUAMDI-AWEZNQCLSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1cccc(C[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000842752360 617300387 /nfs/dbraw/zinc/30/03/87/617300387.db2.gz MHUBQXYRCPBHJP-ZYHUDNBSSA-N 1 0 253.298 0.904 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000861700427 617298819 /nfs/dbraw/zinc/29/88/19/617298819.db2.gz CXVYXJBTVJBNQK-GXSJLCMTSA-N 1 0 279.340 0.950 20 10 CCCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1O ZINC000846169444 617309246 /nfs/dbraw/zinc/30/92/46/617309246.db2.gz QTXXZGLVZXAQLS-JMJZKYOTSA-N 1 0 253.298 0.811 20 10 CCCDRO CCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785443 615349884 /nfs/dbraw/zinc/34/98/84/615349884.db2.gz RAFQSLSQEHOIEY-LBPRGKRZSA-N 1 0 271.386 0.692 20 10 CCCDRO CCOc1cccc(CN(CC[NH3+])CCO)c1O ZINC000841057647 615515758 /nfs/dbraw/zinc/51/57/58/615515758.db2.gz BTUXRAOKEWHOOX-UHFFFAOYSA-N 1 0 254.330 0.544 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CNCC2([NH3+])CCC2)cc1 ZINC000844222797 616014853 /nfs/dbraw/zinc/01/48/53/616014853.db2.gz MLQIGRGTIMKABW-UHFFFAOYSA-N 1 0 290.411 0.840 20 10 CCCDRO CN(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863649450 616015833 /nfs/dbraw/zinc/01/58/33/616015833.db2.gz ZMQXUZRGCVPWHM-UHFFFAOYSA-N 1 0 287.367 0.997 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1F ZINC000839180027 616016104 /nfs/dbraw/zinc/01/61/04/616016104.db2.gz PRXJOBIIEKTBON-LBPRGKRZSA-N 1 0 293.346 0.634 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCOCC2)cc1 ZINC000842785059 616019032 /nfs/dbraw/zinc/01/90/32/616019032.db2.gz LGNZDJNBQVIJLB-AWEZNQCLSA-N 1 0 292.383 0.794 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901054085 616170809 /nfs/dbraw/zinc/17/08/09/616170809.db2.gz AEFJMIVOSOJHIO-IUODEOHRSA-N 1 0 278.352 0.806 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000901123943 616474552 /nfs/dbraw/zinc/47/45/52/616474552.db2.gz UDPTXGQOTJIBPN-ABAIWWIYSA-N 1 0 294.351 0.212 20 10 CCCDRO CNC(=O)C1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000895885357 616550585 /nfs/dbraw/zinc/55/05/85/616550585.db2.gz VTLGQYUNMJNNNB-UHFFFAOYSA-N 1 0 264.325 0.777 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884204905 616677639 /nfs/dbraw/zinc/67/76/39/616677639.db2.gz HPMCGPNAQAUWRE-LBPRGKRZSA-N 1 0 283.347 0.872 20 10 CCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cccc(F)c1O ZINC000843124140 616692486 /nfs/dbraw/zinc/69/24/86/616692486.db2.gz VIPRAFLUSCEJNJ-GFCCVEGCSA-N 1 0 282.315 0.868 20 10 CCCDRO O=C(NC[C@H]1C[NH2+]CCCO1)N1Cc2cccc(O)c2C1 ZINC000892170311 622638369 /nfs/dbraw/zinc/63/83/69/622638369.db2.gz SQJDGCLCSCNOKV-GFCCVEGCSA-N 1 0 291.351 0.796 20 10 CCCDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1Cc2cccc(O)c2C1 ZINC000892182415 622652417 /nfs/dbraw/zinc/65/24/17/622652417.db2.gz ZKBFXVUSTJQYBD-NSHDSACASA-N 1 0 277.324 0.406 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H]2COCCO2)c(O)c1OC ZINC000892634702 623609143 /nfs/dbraw/zinc/60/91/43/623609143.db2.gz ZPWNAWKPRVIXAO-LLVKDONJSA-N 1 0 283.324 0.914 20 10 CCCDRO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(F)ccc1O ZINC000903277853 634549034 /nfs/dbraw/zinc/54/90/34/634549034.db2.gz CVWHFTFDWXTJER-IAQYHMDHSA-N 1 0 298.358 0.875 20 10 CCCDRO COc1cc(O)c(CN2CCC[C@@]([NH3+])(CO)C2)cc1OC ZINC000904402532 634742550 /nfs/dbraw/zinc/74/25/50/634742550.db2.gz RBEDPMVBZZEINM-HNNXBMFYSA-N 1 0 296.367 0.695 20 10 CCCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000895325141 632056066 /nfs/dbraw/zinc/05/60/66/632056066.db2.gz OHIILADZODZBDI-TVQRCGJNSA-N 1 0 273.279 0.988 20 10 CCCDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000897063385 632386958 /nfs/dbraw/zinc/38/69/58/632386958.db2.gz USPBBFMDVFBFRP-VIFPVBQESA-N 1 0 288.344 0.642 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CN1CCOCC1 ZINC000305175222 632524210 /nfs/dbraw/zinc/52/42/10/632524210.db2.gz AOUMUCLVBYDSTH-CQSZACIVSA-N 1 0 280.368 0.517 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(F)ccc1O ZINC000927021238 633577058 /nfs/dbraw/zinc/57/70/58/633577058.db2.gz BJZYIDWYUFNSMA-SCZZXKLOSA-N 1 0 291.344 0.587 20 10 CCCDRO COC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000167844500 636979794 /nfs/dbraw/zinc/97/97/94/636979794.db2.gz AKZMAURHDPXDHQ-ZDUSSCGKSA-N 1 0 265.357 0.685 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000834831876 637688065 /nfs/dbraw/zinc/68/80/65/637688065.db2.gz SZNASNJSZCYLLH-SNVBAGLBSA-N 1 0 257.284 0.910 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000834831872 637688910 /nfs/dbraw/zinc/68/89/10/637688910.db2.gz SZNASNJSZCYLLH-JTQLQIEISA-N 1 0 257.284 0.910 20 10 CCCDRO Cc1cc(CN2CCOC[C@]2(C[NH3+])CO)ccc1N(C)C ZINC000923427686 640133990 /nfs/dbraw/zinc/13/39/90/640133990.db2.gz UVLCGOWJPLVHHV-INIZCTEOSA-N 1 0 293.411 0.583 20 10 CCCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cn2ccnn2)cc1C ZINC000839180847 640305104 /nfs/dbraw/zinc/30/51/04/640305104.db2.gz SNAGKNCSCUYIGK-ZDUSSCGKSA-N 1 0 276.340 0.751 20 10 CCCDRO COc1cc(O)c(C[N@H+](C[C@H](O)CO)C(C)C)cc1OC ZINC000817417267 641257960 /nfs/dbraw/zinc/25/79/60/641257960.db2.gz AFTGSMYMQFTPMZ-LBPRGKRZSA-N 1 0 299.367 0.973 20 10 CCCDRO C[C@@H](O)CN1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000832490610 642487528 /nfs/dbraw/zinc/48/75/28/642487528.db2.gz OESPASYEFIWYNF-NXEZZACHSA-N 1 0 284.381 0.981 20 10 CCCDRO C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000841955786 642860953 /nfs/dbraw/zinc/86/09/53/642860953.db2.gz NHFZBHLGYKRXDQ-VHSXEESVSA-N 1 0 250.346 0.846 20 10 CCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037065 642872467 /nfs/dbraw/zinc/87/24/67/642872467.db2.gz UWGKPWSUHNGNMB-LLVKDONJSA-N 1 0 292.383 0.080 20 10 CCCDRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203741 642882363 /nfs/dbraw/zinc/88/23/63/642882363.db2.gz XBYXNMVDGHSOOC-GHMZBOCLSA-N 1 0 292.383 0.393 20 10 CCCDRO Cc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000862550553 645006001 /nfs/dbraw/zinc/00/60/01/645006001.db2.gz FGXNGWWBODRMJW-ZDUSSCGKSA-N 1 0 250.342 0.857 20 10 CCCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)cc(OC)n1 ZINC001020352571 651062435 /nfs/dbraw/zinc/06/24/35/651062435.db2.gz VWNBCDIYXGVAGD-XYPYZODXSA-N 1 0 297.330 0.919 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988309 646074219 /nfs/dbraw/zinc/07/42/19/646074219.db2.gz MGRKBAYDPIWRRK-CABZTGNLSA-N 1 0 250.298 0.558 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCN(CCO)CC1 ZINC000876509140 646615194 /nfs/dbraw/zinc/61/51/94/646615194.db2.gz AVCDDPVDVXMGIU-UHFFFAOYSA-N 1 0 250.342 0.811 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000189694108 649385039 /nfs/dbraw/zinc/38/50/39/649385039.db2.gz ZIOMITVTSWXGJH-UHFFFAOYSA-N 1 0 297.424 0.734 20 10 CCCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1CCO ZINC000190236926 649438995 /nfs/dbraw/zinc/43/89/95/649438995.db2.gz OKJAJNQDWRGAQU-LBPRGKRZSA-N 1 0 250.342 0.891 20 10 CCCDRO CC[N@H+](CCC(N)=O)Cc1cc(OC)c(O)cc1O ZINC001231636070 805821340 /nfs/dbraw/zinc/82/13/40/805821340.db2.gz QADBYDSMFSGZGA-UHFFFAOYSA-N 1 0 268.313 0.804 20 10 CCCDRO COc1cc(C[NH+]2CCC(NC(N)=O)CC2)c(O)cc1O ZINC001231634110 805823295 /nfs/dbraw/zinc/82/32/95/805823295.db2.gz IHULJHMYYUCBGE-UHFFFAOYSA-N 1 0 295.339 0.739 20 10 CCCDRO Oc1cc(CN2CC[N@@H+]3CC[C@H]3C2)cc(O)c1O ZINC001233016152 806009077 /nfs/dbraw/zinc/00/90/77/806009077.db2.gz OECRQCGNQSABDM-JTQLQIEISA-N 1 0 250.298 0.693 20 10 CCCDRO CN1CCC2(CN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001233018470 806009579 /nfs/dbraw/zinc/00/95/79/806009579.db2.gz WHJJHESZLZUFLY-UHFFFAOYSA-N 1 0 278.308 0.468 20 10 CCCDRO C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC[N@@H+]1C ZINC001233485708 806058718 /nfs/dbraw/zinc/05/87/18/806058718.db2.gz HWVFIDBBXRWDDH-SECBINFHSA-N 1 0 252.314 0.939 20 10 CCCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486250 806062722 /nfs/dbraw/zinc/06/27/22/806062722.db2.gz FGPMKQRUSIVLOO-UHFFFAOYSA-N 1 0 268.313 0.714 20 10 CCCDRO COC[C@H]1COCCN1Cc1cc(O)c(O)cc1O ZINC001233487050 806062843 /nfs/dbraw/zinc/06/28/43/806062843.db2.gz NLVORHHQMWOZDR-JTQLQIEISA-N 1 0 269.297 0.651 20 10 CCCDRO CCOc1cccc(CN2CCNC[C@@]23CC[NH2+]C3)c1O ZINC001234983095 806329013 /nfs/dbraw/zinc/32/90/13/806329013.db2.gz SSAJGYMXPRDEKC-INIZCTEOSA-N 1 0 291.395 0.928 20 10 CCCDRO Oc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1O ZINC001235079938 806369074 /nfs/dbraw/zinc/36/90/74/806369074.db2.gz RWIAIMUWJPBQDW-NXEZZACHSA-N 1 0 250.298 0.740 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(OC)c1O ZINC001236195972 806547827 /nfs/dbraw/zinc/54/78/27/806547827.db2.gz IGXNWVPOYRMUSZ-MNOVXSKESA-N 1 0 280.324 0.475 20 10 CCCDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)cc(O)c1O ZINC001236297410 806563686 /nfs/dbraw/zinc/56/36/86/806563686.db2.gz ZWFDYDIDNFVSJR-NXEZZACHSA-N 1 0 250.298 0.510 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(O)cccc2F)C[C@H]1[NH3+] ZINC001236342448 806573339 /nfs/dbraw/zinc/57/33/39/806573339.db2.gz JMYOQJGICVTQIG-GXSJLCMTSA-N 1 0 268.288 0.463 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC001236344097 806574578 /nfs/dbraw/zinc/57/45/78/806574578.db2.gz MXTQBCXVTAIZNX-GXSJLCMTSA-N 1 0 268.288 0.463 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001236808595 806613208 /nfs/dbraw/zinc/61/32/08/806613208.db2.gz QQWCTVHFWOUYTA-NHYWBVRUSA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237669815 806708124 /nfs/dbraw/zinc/70/81/24/806708124.db2.gz OMOADFDEALUTME-DGCLKSJQSA-N 1 0 297.351 0.585 20 10 CCCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001238065702 806746410 /nfs/dbraw/zinc/74/64/10/806746410.db2.gz YZUXTCHAQGMZSS-PWSUYJOCSA-N 1 0 255.289 0.625 20 10 CCCDRO CN1CCCc2cc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)ccc21 ZINC001138354454 799723710 /nfs/dbraw/zinc/72/37/10/799723710.db2.gz KKXJQNGGKCHNTG-HOCLYGCPSA-N 1 0 276.380 0.854 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001140619460 799925484 /nfs/dbraw/zinc/92/54/84/799925484.db2.gz DORANPKQJIMENH-TZMCWYRMSA-N 1 0 251.326 0.876 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c1O ZINC001140748207 799939957 /nfs/dbraw/zinc/93/99/57/799939957.db2.gz UQPMXFDUHNLWJM-GFCCVEGCSA-N 1 0 292.335 0.449 20 10 CCCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(O)ccc2O)CCO1 ZINC001141156902 799984514 /nfs/dbraw/zinc/98/45/14/799984514.db2.gz XDHWHHKHFJXRFD-CYBMUJFWSA-N 1 0 266.341 0.860 20 10 CCCDRO O=C1COCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141157893 799984545 /nfs/dbraw/zinc/98/45/45/799984545.db2.gz PKHUBUCHWVGLSG-UHFFFAOYSA-N 1 0 292.335 0.579 20 10 CCCDRO NC(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155801 799984591 /nfs/dbraw/zinc/98/45/91/799984591.db2.gz KDEJNTCNKJASDX-UHFFFAOYSA-N 1 0 265.313 0.731 20 10 CCCDRO O=C([C@H]1[NH2+]CC[C@H]1O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924259 802047788 /nfs/dbraw/zinc/04/77/88/802047788.db2.gz GQTHDCQRFMDOPK-RISCZKNCSA-N 1 0 292.335 0.095 20 10 CCCDRO O=C(c1c(F)ccc(O)c1O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001161854646 802232512 /nfs/dbraw/zinc/23/25/12/802232512.db2.gz ORDGXIRTIDCKNJ-MRVPVSSYSA-N 1 0 296.298 0.440 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc2c(c1)C(=O)N(C1CC1)C2 ZINC001163836547 802622686 /nfs/dbraw/zinc/62/26/86/802622686.db2.gz FDFQASWOMMDGPN-UHFFFAOYSA-N 1 0 275.352 0.562 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001205358690 803137569 /nfs/dbraw/zinc/13/75/69/803137569.db2.gz ZDCPOTHLDKHNEK-HZPDHXFCSA-N 1 0 287.407 0.889 20 10 CCCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001207825154 803453322 /nfs/dbraw/zinc/45/33/22/803453322.db2.gz UZXDAEIABISWDB-CMPLNLGQSA-N 1 0 269.316 0.954 20 10 CCCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC000179584175 803750712 /nfs/dbraw/zinc/75/07/12/803750712.db2.gz UQRQTSVUHRZXIP-NSHDSACASA-N 1 0 250.298 0.851 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219739699 804416060 /nfs/dbraw/zinc/41/60/60/804416060.db2.gz VNXJTTYUCGYBJW-CYBMUJFWSA-N 1 0 275.352 0.306 20 10 CCCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490156 804613580 /nfs/dbraw/zinc/61/35/80/804613580.db2.gz VUHILZNUDRENEE-ONGXEEELSA-N 1 0 292.335 0.785 20 10 CCCDRO C[C@@]1(C(=O)NCC(=O)c2ccc(O)c(O)c2)CC[NH2+]C1 ZINC001220489994 804613699 /nfs/dbraw/zinc/61/36/99/804613699.db2.gz OMOUYVHLURGHHG-CQSZACIVSA-N 1 0 278.308 0.396 20 10 CCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CN1 ZINC001246239837 807195431 /nfs/dbraw/zinc/19/54/31/807195431.db2.gz KPTIKFVVCOCCMM-NEPJUHHUSA-N 1 0 294.351 0.524 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CN1 ZINC001246238235 807195448 /nfs/dbraw/zinc/19/54/48/807195448.db2.gz DMRFQMURTOXGGR-KOLCDFICSA-N 1 0 266.297 0.091 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1 ZINC001246346548 807228871 /nfs/dbraw/zinc/22/88/71/807228871.db2.gz NNGNQXOMNUPBBY-STQMWFEESA-N 1 0 278.352 0.997 20 10 CCCDRO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001255414532 808357196 /nfs/dbraw/zinc/35/71/96/808357196.db2.gz YDMAILUQTFCVCZ-GXFFZTMASA-N 1 0 252.314 0.425 20 10 CCCDRO C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1ccccc1O ZINC001262009661 809153027 /nfs/dbraw/zinc/15/30/27/809153027.db2.gz FKISREKHUHQDPI-IUCAKERBSA-N 1 0 263.297 0.673 20 10 CCCDRO C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(N)cc1 ZINC001263303895 809505321 /nfs/dbraw/zinc/50/53/21/809505321.db2.gz MOBQKQJIIQZMSY-LBPRGKRZSA-N 1 0 250.346 0.164 20 10 CCCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270577582 813820249 /nfs/dbraw/zinc/82/02/49/813820249.db2.gz XWYWUESEVAJVQP-TXEJJXNPSA-N 1 0 276.336 0.945 20 10 CCCDRO C[NH2+]Cc1cc(NCCc2cc(O)c(O)cc2O)ncn1 ZINC001168005791 814049569 /nfs/dbraw/zinc/04/95/69/814049569.db2.gz GFBFCGSFLAFAGG-UHFFFAOYSA-N 1 0 290.323 0.967 20 10 CCCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001235995684 816984642 /nfs/dbraw/zinc/98/46/42/816984642.db2.gz WMICCNFHAZEALB-TVQRCGJNSA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cccc2F)C[C@H]1[NH3+] ZINC001236342516 817266999 /nfs/dbraw/zinc/26/69/99/817266999.db2.gz JMYOQJGICVTQIG-MWLCHTKSSA-N 1 0 268.288 0.463 20 10 CCCDRO CCC[N@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000388690757 822082738 /nfs/dbraw/zinc/08/27/38/822082738.db2.gz FZKPSKFMNGVDHL-UHFFFAOYSA-N 1 0 266.297 0.818 20 10 CCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cn[nH]n2)cc1C ZINC001130749160 837914709 /nfs/dbraw/zinc/91/47/09/837914709.db2.gz WBLQQXLKDGTGRX-UHFFFAOYSA-N 1 0 289.339 0.641 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148587283 840852217 /nfs/dbraw/zinc/85/22/17/840852217.db2.gz GQVAOWDLFZAXAJ-SNVBAGLBSA-N 1 0 296.323 0.206 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001205369671 844596314 /nfs/dbraw/zinc/59/63/14/844596314.db2.gz DDGFAYKTWBHEID-MWLCHTKSSA-N 1 0 260.696 0.689 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206456430 843548545 /nfs/dbraw/zinc/54/85/45/843548545.db2.gz NOECSJRNEFJPQY-STQMWFEESA-N 1 0 296.342 0.979 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2cc(F)c(F)cc2O)C[C@@H]1O ZINC001206524924 843859782 /nfs/dbraw/zinc/85/97/82/843859782.db2.gz AMQZHOHSPMGTBQ-UFBFGSQYSA-N 1 0 258.268 0.422 20 10 CCCDRO COC(=O)[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001252441995 847964293 /nfs/dbraw/zinc/96/42/93/847964293.db2.gz OZSIWPWVQZQGNU-GXFFZTMASA-N 1 0 266.341 0.937 20 10 CCCDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252695811 848067027 /nfs/dbraw/zinc/06/70/27/848067027.db2.gz FXTXVZCNLLJYLL-NSHDSACASA-N 1 0 255.314 0.973 20 10 CCCDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252771942 848073008 /nfs/dbraw/zinc/07/30/08/848073008.db2.gz XEQVHNOLHXNXOJ-ZWNOBZJWSA-N 1 0 255.314 0.882 20 10 CCCDRO C[C@H]1[C@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000719336387 849307676 /nfs/dbraw/zinc/30/76/76/849307676.db2.gz IDIMAKNUHYKECJ-WCBMZHEXSA-N 1 0 250.298 0.920 20 10 CCCDRO CO[C@]1(C[NH2+]Cc2cccc(C)c2O)CCS(=O)(=O)C1 ZINC000721219881 849645506 /nfs/dbraw/zinc/64/55/06/849645506.db2.gz RAJAZCDXZWPROA-AWEZNQCLSA-N 1 0 299.392 0.994 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CCCn1cncn1)OCO2 ZINC000381680426 849781762 /nfs/dbraw/zinc/78/17/62/849781762.db2.gz BPLQTCWOWMEKMU-UHFFFAOYSA-N 1 0 276.296 0.892 20 10 CCCDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC001120371759 857047771 /nfs/dbraw/zinc/04/77/71/857047771.db2.gz PVOGTRRRKUUPTE-GFCCVEGCSA-N 1 0 269.370 0.392 20 10 CCCDRO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC001299845907 907402481 /nfs/dbraw/zinc/40/24/81/907402481.db2.gz IGVFRKNOHRQNCT-VIFPVBQESA-N 1 0 252.314 0.707 20 10 CCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329953285 916307259 /nfs/dbraw/zinc/30/72/59/916307259.db2.gz SJURFINGTNECRR-ONGXEEELSA-N 1 0 289.335 0.183 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001335285581 920091652 /nfs/dbraw/zinc/09/16/52/920091652.db2.gz QCDNGSZWZPUKTR-GFCCVEGCSA-N 1 0 283.397 0.769 20 10 CCCDRO Nc1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001336118812 920618533 /nfs/dbraw/zinc/61/85/33/920618533.db2.gz KSZQNOWUFOKNJI-LLVKDONJSA-N 1 0 269.370 0.379 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001354865132 926177047 /nfs/dbraw/zinc/17/70/47/926177047.db2.gz OFBVBHCGAQHRSV-YVZVNANGSA-N 1 0 250.273 0.755 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000257175161 352548342 /nfs/dbraw/zinc/54/83/42/352548342.db2.gz AJXNHNYEJPYBIU-OKILXGFUSA-N 1 0 287.363 0.799 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000368654143 357337168 /nfs/dbraw/zinc/33/71/68/357337168.db2.gz XZTYIVOZTRQCAQ-JQWIXIFHSA-N 1 0 251.305 0.628 20 10 CCCDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(O)c1O ZINC000253103129 389266623 /nfs/dbraw/zinc/26/66/23/389266623.db2.gz YLYYGFAOJYWZPZ-WDEREUQCSA-N 1 0 292.335 0.691 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C(N)=O)O1 ZINC000179586349 389660005 /nfs/dbraw/zinc/66/00/05/389660005.db2.gz PIZGVRSYQXZKAC-BXKDBHETSA-N 1 0 250.298 0.467 20 10 CCCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000181556094 389687831 /nfs/dbraw/zinc/68/78/31/389687831.db2.gz ITXKRRQHMAIZKJ-LBPRGKRZSA-N 1 0 284.381 0.906 20 10 CCCDRO Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)c(O)c1O ZINC000181824852 389694752 /nfs/dbraw/zinc/69/47/52/389694752.db2.gz CKUNWJQBCLGSGJ-UHFFFAOYSA-N 1 0 293.367 0.383 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000038060641 174071801 /nfs/dbraw/zinc/07/18/01/174071801.db2.gz TYXVMLMWBJPIHO-LBPRGKRZSA-N 1 0 253.298 0.906 20 10 CCCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC000042290229 174675101 /nfs/dbraw/zinc/67/51/01/174675101.db2.gz CLQMFBJTTPHLON-SECBINFHSA-N 1 0 257.311 0.375 20 10 CCCDRO CC(C)C(=O)NCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879435 519501258 /nfs/dbraw/zinc/50/12/58/519501258.db2.gz ZEEWIJAJLKRYHG-UHFFFAOYSA-N 1 0 280.324 0.983 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000279789854 522684738 /nfs/dbraw/zinc/68/47/38/522684738.db2.gz MFDUOGGYNDBBQC-JTQLQIEISA-N 1 0 271.313 0.506 20 10 CCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[NH3+] ZINC000040855886 523266291 /nfs/dbraw/zinc/26/62/91/523266291.db2.gz HEACMORCFDGXQM-UHFFFAOYSA-N 1 0 277.368 0.830 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000290190787 524756657 /nfs/dbraw/zinc/75/66/57/524756657.db2.gz OOLKYPBWKMNBCD-JOYOIKCWSA-N 1 0 285.365 0.924 20 10 CCCDRO OCC[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000278521349 527566713 /nfs/dbraw/zinc/56/67/13/527566713.db2.gz SDWIWKYDXFTIHC-CQSZACIVSA-N 1 0 281.308 0.752 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000785986098 581426483 /nfs/dbraw/zinc/42/64/83/581426483.db2.gz SBHFBDPZXYPJFF-NSHDSACASA-N 1 0 286.353 0.264 20 10 CCCDRO O=S1(=O)CC(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000786823634 581450218 /nfs/dbraw/zinc/45/02/18/581450218.db2.gz APZXUVILMOKXNZ-UHFFFAOYSA-N 1 0 299.348 0.645 20 10 CCCDRO C[NH+](C)C[C@](C)(O)CNC(=O)C1=CC(=O)CS1 ZINC000752662298 581511647 /nfs/dbraw/zinc/51/16/47/581511647.db2.gz SYSRQFNZCJNUPT-LLVKDONJSA-N 1 0 258.343 0.496 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](CO)C2CC2)cc1 ZINC000771815869 581824443 /nfs/dbraw/zinc/82/44/43/581824443.db2.gz DNJZRESWVZOJQB-OAHLLOKOSA-N 1 0 291.395 0.729 20 10 CCCDRO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000761205312 581895472 /nfs/dbraw/zinc/89/54/72/581895472.db2.gz SKTAWUWYDHKHJF-PHIMTYICSA-N 1 0 287.743 0.982 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(N)=O)c1 ZINC000775369471 582021176 /nfs/dbraw/zinc/02/11/76/582021176.db2.gz DJMAVMUHTKVWBS-SSDOTTSWSA-N 1 0 267.285 0.246 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H]2CCNC2=O)cc1OC ZINC000826768484 617207791 /nfs/dbraw/zinc/20/77/91/617207791.db2.gz ALDFIPMVBAGBCZ-VIFPVBQESA-N 1 0 266.297 0.388 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(O)c1OC ZINC000896021052 617252424 /nfs/dbraw/zinc/25/24/24/617252424.db2.gz FLRPAPIZVWNLNY-QMTHXVAHSA-N 1 0 265.309 0.976 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H](C)CC[NH3+])c(O)c1 ZINC000841968077 617254981 /nfs/dbraw/zinc/25/49/81/617254981.db2.gz SXDFHVFWYSAMQJ-VIFPVBQESA-N 1 0 267.329 0.937 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])COC(C)C)c(O)c1 ZINC000852826274 617255670 /nfs/dbraw/zinc/25/56/70/617255670.db2.gz RWEZCBJICOGQJY-LBPRGKRZSA-N 1 0 282.340 0.769 20 10 CCCDRO COc1ccc(N2CCN(CC[NH3+])CC2)c(OC)c1 ZINC000022770826 617267661 /nfs/dbraw/zinc/26/76/61/617267661.db2.gz GIXIIRAWVKJUCV-UHFFFAOYSA-N 1 0 265.357 0.785 20 10 CCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000831752792 617267993 /nfs/dbraw/zinc/26/79/93/617267993.db2.gz DSRAUMVJMWFLTG-VXGBXAGGSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)C[NH+](C)C)c1 ZINC000876879718 617273855 /nfs/dbraw/zinc/27/38/55/617273855.db2.gz VMBCZJHHHPKKSV-CABZTGNLSA-N 1 0 281.356 0.467 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)C[NH2+]CCO2)c1 ZINC000876878678 617274020 /nfs/dbraw/zinc/27/40/20/617274020.db2.gz JCDASEZFWCODIK-BMIGLBTASA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2cnnn2)c1 ZINC000878359939 617274114 /nfs/dbraw/zinc/27/41/14/617274114.db2.gz FEMKYGAOOSBWIM-SECBINFHSA-N 1 0 263.301 0.738 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000846678203 617274349 /nfs/dbraw/zinc/27/43/49/617274349.db2.gz WNOCLFKBKKBIJI-GXFFZTMASA-N 1 0 295.383 0.857 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000862427143 617272389 /nfs/dbraw/zinc/27/23/89/617272389.db2.gz UPWUGYXNZJMYJD-CQSZACIVSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000132574206 617272692 /nfs/dbraw/zinc/27/26/92/617272692.db2.gz RDDKUEQSAJPNQI-HZMBPMFUSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1 ZINC000825017669 617272977 /nfs/dbraw/zinc/27/29/77/617272977.db2.gz WTUWDAXIYCTFJZ-CHWSQXEVSA-N 1 0 253.298 0.592 20 10 CCCDRO COc1cccc(C[N@H+](C[C@H](O)CO)C(C)C)c1O ZINC000817417836 617296927 /nfs/dbraw/zinc/29/69/27/617296927.db2.gz RYRCSQQNOTUXTL-LBPRGKRZSA-N 1 0 269.341 0.964 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c1O ZINC000846158783 617307652 /nfs/dbraw/zinc/30/76/52/617307652.db2.gz KPSCIVFHMSRANL-LLVKDONJSA-N 1 0 294.351 0.910 20 10 CCCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000866420739 617309220 /nfs/dbraw/zinc/30/92/20/617309220.db2.gz QTXXZGLVZXAQLS-GDPRMGEGSA-N 1 0 253.298 0.811 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[NH3+] ZINC000817949829 614585246 /nfs/dbraw/zinc/58/52/46/614585246.db2.gz NQGQSAQQWWWPSX-UHFFFAOYSA-N 1 0 293.367 0.548 20 10 CCCDRO CCN(CCO)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893646744 615054997 /nfs/dbraw/zinc/05/49/97/615054997.db2.gz OLMLCHADWWFFPR-UHFFFAOYSA-N 1 0 298.383 0.813 20 10 CCCDRO CCOc1ccc(O)c(CN2CCO[C@H](C[NH3+])C2)c1 ZINC000843069596 615512095 /nfs/dbraw/zinc/51/20/95/615512095.db2.gz RXXKAJPRKUBFML-CYBMUJFWSA-N 1 0 266.341 0.950 20 10 CCCDRO CCOc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877764549 615516249 /nfs/dbraw/zinc/51/62/49/615516249.db2.gz IBOOTLAEAHNMCQ-BETUJISGSA-N 1 0 281.352 0.824 20 10 CCCDRO C[NH+](C)CCCS(=O)(=O)NCCc1ccc(N)cc1 ZINC000866760581 615886024 /nfs/dbraw/zinc/88/60/24/615886024.db2.gz DCNFYRDLJFXCFU-UHFFFAOYSA-N 1 0 285.413 0.682 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000844218089 616014911 /nfs/dbraw/zinc/01/49/11/616014911.db2.gz QGADRFNMBYLELL-CYBMUJFWSA-N 1 0 276.384 0.402 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NCC[NH3+])cc1F ZINC000841762582 616014985 /nfs/dbraw/zinc/01/49/85/616014985.db2.gz XYZVUYKRLPREBR-UHFFFAOYSA-N 1 0 254.309 0.650 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ncc[nH]2)cc1 ZINC000911667729 616019821 /nfs/dbraw/zinc/01/98/21/616019821.db2.gz RHFPLKYMWPWDBN-CYBMUJFWSA-N 1 0 287.367 0.834 20 10 CCCDRO C[N@H+](CCC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877521305 616069677 /nfs/dbraw/zinc/06/96/77/616069677.db2.gz VNCKVPHHSLQJDT-UHFFFAOYSA-N 1 0 291.395 0.955 20 10 CCCDRO C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(F)c1[O-] ZINC000843053297 616088325 /nfs/dbraw/zinc/08/83/25/616088325.db2.gz UKSHDUMGMRSJHI-UHFFFAOYSA-N 1 0 267.348 0.868 20 10 CCCDRO CN(C)c1ccc(CN(C)C[C@H](O)C[NH3+])cc1F ZINC000841093992 616166735 /nfs/dbraw/zinc/16/67/35/616166735.db2.gz WECMUSYPUGUGIF-LLVKDONJSA-N 1 0 255.337 0.643 20 10 CCCDRO CN1CCN(Cc2cccc(F)c2O)[C@H](C[NH3+])C1 ZINC000843121691 616245320 /nfs/dbraw/zinc/24/53/20/616245320.db2.gz HIYGSMKRQVHBET-LLVKDONJSA-N 1 0 253.321 0.606 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c(O)cccc2OC)C1 ZINC000843433615 616422767 /nfs/dbraw/zinc/42/27/67/616422767.db2.gz AWZIAPYGWWJDQJ-GHMZBOCLSA-N 1 0 295.335 0.757 20 10 CCCDRO COCC[NH2+]CCNC(=O)NCc1ccc(OC)cc1O ZINC000841968346 616509555 /nfs/dbraw/zinc/50/95/55/616509555.db2.gz OSHMYLGBXXKGQH-UHFFFAOYSA-N 1 0 297.355 0.436 20 10 CCCDRO COCC[NH2+]CCNCc1cc(OC)ccc1O ZINC000841048722 616510516 /nfs/dbraw/zinc/51/05/16/616510516.db2.gz SJZIFWRZQQNYSF-UHFFFAOYSA-N 1 0 254.330 0.726 20 10 CCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877656969 616559885 /nfs/dbraw/zinc/55/98/85/616559885.db2.gz CYZTUBNDQJMVMM-UHFFFAOYSA-N 1 0 294.351 0.860 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000895701569 616561391 /nfs/dbraw/zinc/56/13/91/616561391.db2.gz AFABVNRWQXIODG-CQSZACIVSA-N 1 0 265.309 0.810 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000895706148 616562044 /nfs/dbraw/zinc/56/20/44/616562044.db2.gz DDTDMUVCBVOGJJ-CQSZACIVSA-N 1 0 281.308 0.511 20 10 CCCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434721 616724266 /nfs/dbraw/zinc/72/42/66/616724266.db2.gz MUEPYKNPTJPSFD-RYUDHWBXSA-N 1 0 295.335 0.757 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000895702963 616786718 /nfs/dbraw/zinc/78/67/18/616786718.db2.gz IEBBWBWZUGESJV-ZDUSSCGKSA-N 1 0 269.272 0.641 20 10 CCCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000832177919 616974628 /nfs/dbraw/zinc/97/46/28/616974628.db2.gz JIHWEODHVBEVIC-SECBINFHSA-N 1 0 252.314 0.873 20 10 CCCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000851683085 616991385 /nfs/dbraw/zinc/99/13/85/616991385.db2.gz YTSHJESBZHKOTJ-VIFPVBQESA-N 1 0 267.329 0.808 20 10 CCCDRO COC[C@@](C)(O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824559029 617028379 /nfs/dbraw/zinc/02/83/79/617028379.db2.gz CUHLZTMABOORKD-AWEZNQCLSA-N 1 0 283.324 0.998 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876813282 617033357 /nfs/dbraw/zinc/03/33/57/617033357.db2.gz AZHOJSNDKOPBJW-LLVKDONJSA-N 1 0 284.381 0.824 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000832658909 617164755 /nfs/dbraw/zinc/16/47/55/617164755.db2.gz HHKRFTJUZSZKKQ-GFCCVEGCSA-N 1 0 251.330 0.291 20 10 CCCDRO COCC[NH2+]CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166462313 622837572 /nfs/dbraw/zinc/83/75/72/622837572.db2.gz VFMJGRCAZLLWMW-UHFFFAOYSA-N 1 0 283.347 0.744 20 10 CCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000161583249 622876961 /nfs/dbraw/zinc/87/69/61/622876961.db2.gz BQKLLQQPEYWZPC-ZETCQYMHSA-N 1 0 252.270 0.474 20 10 CCCDRO [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219824699 623837143 /nfs/dbraw/zinc/83/71/43/623837143.db2.gz VLEUIJBNLSPBPF-LLVKDONJSA-N 1 0 295.358 0.818 20 10 CCCDRO [NH3+][C@]1(CO)CCCN(Cc2cc(F)ccc2O)C1 ZINC000904400770 634742272 /nfs/dbraw/zinc/74/22/72/634742272.db2.gz ARXJIMVGSLFRBK-CYBMUJFWSA-N 1 0 254.305 0.817 20 10 CCCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@]1(O)CCOC1 ZINC000905091086 634791275 /nfs/dbraw/zinc/79/12/75/634791275.db2.gz XJQISIJYOFQVCE-GDBMZVCRSA-N 1 0 293.363 0.614 20 10 CCCDRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccccc1O ZINC000925797171 631252142 /nfs/dbraw/zinc/25/21/42/631252142.db2.gz PHVWLKWSNSLOQB-RYUDHWBXSA-N 1 0 298.408 0.820 20 10 CCCDRO C[N@@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000928554648 631982405 /nfs/dbraw/zinc/98/24/05/631982405.db2.gz JJWJGDRFVSGOMR-TZNOJPMFSA-N 1 0 262.309 0.931 20 10 CCCDRO OCCOCC1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC000895827168 632158669 /nfs/dbraw/zinc/15/86/69/632158669.db2.gz LCJUYZFHMPTOGH-UHFFFAOYSA-N 1 0 281.352 0.728 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897279506 632457813 /nfs/dbraw/zinc/45/78/13/632457813.db2.gz RTBVYWYRDUJYFT-LBPRGKRZSA-N 1 0 297.380 0.035 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)c1cccc(O)c1O ZINC000229417140 637114626 /nfs/dbraw/zinc/11/46/26/637114626.db2.gz VNRISRIVAGBWSG-UHFFFAOYSA-N 1 0 268.313 0.406 20 10 CCCDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)COCCN2C)cc1C ZINC000922534601 639718864 /nfs/dbraw/zinc/71/88/64/639718864.db2.gz AYBQYVNQSJCTPK-INIZCTEOSA-N 1 0 294.395 0.792 20 10 CCCDRO Cc1cc(CN(CC[NH3+])CCO)ccc1N(C)C ZINC000923331652 640090686 /nfs/dbraw/zinc/09/06/86/640090686.db2.gz MPTJESFIMDXQOV-UHFFFAOYSA-N 1 0 251.374 0.814 20 10 CCCDRO Cc1cc(CN2CCOC[C@@]2(C[NH3+])CO)ccc1N(C)C ZINC000923427689 640133394 /nfs/dbraw/zinc/13/33/94/640133394.db2.gz UVLCGOWJPLVHHV-MRXNPFEDSA-N 1 0 293.411 0.583 20 10 CCCDRO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)ccc1N(C)C ZINC000839171446 640303493 /nfs/dbraw/zinc/30/34/93/640303493.db2.gz FZDMAQBNEBEFAZ-DZGCQCFKSA-N 1 0 264.369 0.846 20 10 CCCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818967755 641369998 /nfs/dbraw/zinc/36/99/98/641369998.db2.gz ATDKYJZIBGLXEM-JSGCOSHPSA-N 1 0 291.395 0.859 20 10 CCCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818967754 641370393 /nfs/dbraw/zinc/37/03/93/641370393.db2.gz ATDKYJZIBGLXEM-GXTWGEPZSA-N 1 0 291.395 0.859 20 10 CCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095042 641380836 /nfs/dbraw/zinc/38/08/36/641380836.db2.gz SEEYEGRNPOIMGD-UHFFFAOYSA-N 1 0 288.351 0.737 20 10 CCCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827364223 642000811 /nfs/dbraw/zinc/00/08/11/642000811.db2.gz FWWXZUZXMDWNDE-WCQYABFASA-N 1 0 293.342 0.626 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000832658796 642510720 /nfs/dbraw/zinc/51/07/20/642510720.db2.gz CIZUNXSTDCJEQX-JTQLQIEISA-N 1 0 257.284 0.910 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000834860516 642639879 /nfs/dbraw/zinc/63/98/79/642639879.db2.gz BHURYMUIPUHTIX-CYBMUJFWSA-N 1 0 263.341 0.306 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000843070676 642987622 /nfs/dbraw/zinc/98/76/22/642987622.db2.gz WTHYXFGBKGSZME-INIZCTEOSA-N 1 0 291.395 0.683 20 10 CCCDRO NC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848995545 643695505 /nfs/dbraw/zinc/69/55/05/643695505.db2.gz PVXSDJPICXKLGC-NSHDSACASA-N 1 0 275.356 0.371 20 10 CCCDRO Nc1ccc(CCNS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000923635850 646247579 /nfs/dbraw/zinc/24/75/79/646247579.db2.gz IIDRVISOOKOBGY-ZDUSSCGKSA-N 1 0 283.397 0.483 20 10 CCCDRO Cc1cccc(O)c1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000876759548 646659509 /nfs/dbraw/zinc/65/95/09/646659509.db2.gz LBXYAPWVVAIRHC-AWEZNQCLSA-N 1 0 294.395 0.826 20 10 CCCDRO Cc1cc(Cn2cc(C[C@@H]([NH3+])CO)nn2)ccc1N(C)C ZINC000881377323 647307234 /nfs/dbraw/zinc/30/72/34/647307234.db2.gz JXUCUSMNGKNYPI-CYBMUJFWSA-N 1 0 289.383 0.563 20 10 CCCDRO Cc1cccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1O ZINC000190252996 649439849 /nfs/dbraw/zinc/43/98/49/649439849.db2.gz QDWJXPLUGAJSKZ-UHFFFAOYSA-N 1 0 284.381 0.682 20 10 CCCDRO CN(C)c1ccc(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC001232838683 805985876 /nfs/dbraw/zinc/98/58/76/805985876.db2.gz BMSBRNIVYSFJOU-UHFFFAOYSA-N 1 0 292.383 0.061 20 10 CCCDRO CN(Cc1cc(O)c(O)c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC001233011491 806007323 /nfs/dbraw/zinc/00/73/23/806007323.db2.gz AUYKNQXDPYQXCW-SNVBAGLBSA-N 1 0 252.314 0.939 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1O ZINC001233482949 806059465 /nfs/dbraw/zinc/05/94/65/806059465.db2.gz IMWIXWMDCKSDPE-UONOGXRCSA-N 1 0 283.324 0.369 20 10 CCCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484379 806062288 /nfs/dbraw/zinc/06/22/88/806062288.db2.gz IWQRDLXMBVWSPI-IAQYHMDHSA-N 1 0 295.335 0.898 20 10 CCCDRO Cc1cccc(O)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234993033 806341000 /nfs/dbraw/zinc/34/10/00/806341000.db2.gz UJQXUAMOYNOADJ-HNNXBMFYSA-N 1 0 261.369 0.838 20 10 CCCDRO [NH3+]CCN(CC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC001235880465 806513959 /nfs/dbraw/zinc/51/39/59/806513959.db2.gz MWQJYYWLKSEOSJ-UHFFFAOYSA-N 1 0 261.728 0.904 20 10 CCCDRO CN1CCN(c2ncc(-c3ccn(C)c(=O)c3)cn2)CC1 ZINC001235917683 806516989 /nfs/dbraw/zinc/51/69/89/806516989.db2.gz NMAFTQVDCYYUBP-UHFFFAOYSA-N 1 0 285.351 0.594 20 10 CCCDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2C(=O)OC)c(O)c1 ZINC001236059001 806541192 /nfs/dbraw/zinc/54/11/92/806541192.db2.gz ZQMHNOIOXPZOHR-ZDUSSCGKSA-N 1 0 294.351 0.738 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(O)ccc1O ZINC001236198670 806551167 /nfs/dbraw/zinc/55/11/67/806551167.db2.gz MQEWADKHQWGQEO-ONGXEEELSA-N 1 0 266.297 0.172 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(C)ccc1O ZINC001236199790 806552502 /nfs/dbraw/zinc/55/25/02/806552502.db2.gz QJMGDVDXMFSSNW-NEPJUHHUSA-N 1 0 264.325 0.775 20 10 CCCDRO C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)C[C@@H](C)[NH2+]1 ZINC001236580673 806594546 /nfs/dbraw/zinc/59/45/46/806594546.db2.gz RUTZMOYPLXDTOO-RKDXNWHRSA-N 1 0 252.314 0.986 20 10 CCCDRO CCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001236783301 806609234 /nfs/dbraw/zinc/60/92/34/806609234.db2.gz JUSNSYDNNVXZCN-OCCSQVGLSA-N 1 0 251.326 0.740 20 10 CCCDRO CCc1ccc(CN2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC001236791778 806610947 /nfs/dbraw/zinc/61/09/47/806610947.db2.gz KSUZGPWHBMWMQQ-ZDUSSCGKSA-N 1 0 264.325 0.641 20 10 CCCDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1 ZINC001120591935 798880638 /nfs/dbraw/zinc/88/06/38/798880638.db2.gz MUHJOZXRGGVSCI-ZWNOBZJWSA-N 1 0 278.356 0.526 20 10 CCCDRO CCNC(=O)CN(C)Cc1cc(OC)cc(OC)c1O ZINC001237674425 806708068 /nfs/dbraw/zinc/70/80/68/806708068.db2.gz GZESQJAOXCYXCY-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COc1cc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c(OC)c1 ZINC001237671152 806708679 /nfs/dbraw/zinc/70/86/79/806708679.db2.gz ZASFYWWYTYAGDY-HNNXBMFYSA-N 1 0 297.351 0.993 20 10 CCCDRO COc1cc(CN2CCC[C@H]2C(N)=O)c(O)c(OC)c1 ZINC001237674442 806709073 /nfs/dbraw/zinc/70/90/73/806709073.db2.gz HSFJKUBQBOMPQI-NSHDSACASA-N 1 0 280.324 0.859 20 10 CCCDRO [NH3+]C[C@@H](O)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001121990425 799114719 /nfs/dbraw/zinc/11/47/19/799114719.db2.gz DKEPJNXETLHBOR-AWEZNQCLSA-N 1 0 277.368 0.613 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)c1ccccc1O ZINC001122192389 799165768 /nfs/dbraw/zinc/16/57/68/799165768.db2.gz SGPLMEKCNRGVEV-LDYMZIIASA-N 1 0 252.314 0.668 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141028192 799973718 /nfs/dbraw/zinc/97/37/18/799973718.db2.gz FJYTXAOMDMNMCW-SECBINFHSA-N 1 0 280.324 0.717 20 10 CCCDRO Oc1cc2c(cc1CNC[C@@H]1CCC[NH2+]1)OCO2 ZINC000841036244 800067192 /nfs/dbraw/zinc/06/71/92/800067192.db2.gz QBRCGCWFRMUEHO-JTQLQIEISA-N 1 0 250.298 0.963 20 10 CCCDRO Cn1ccc(-c2nccnc2N2CC[NH2+]CC2)cc1=O ZINC001240969850 806959872 /nfs/dbraw/zinc/95/98/72/806959872.db2.gz WVNHWWYIAXGOGG-UHFFFAOYSA-N 1 0 271.324 0.252 20 10 CCCDRO CCOC(=O)CN(CCC[NH3+])C(=O)Cc1ccc(N)cc1 ZINC001161158463 802104183 /nfs/dbraw/zinc/10/41/83/802104183.db2.gz ILPZFTMOFPTQCA-UHFFFAOYSA-N 1 0 293.367 0.552 20 10 CCCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204275517 803075573 /nfs/dbraw/zinc/07/55/73/803075573.db2.gz UVDZVIOMVQMEBL-LLVKDONJSA-N 1 0 250.298 0.938 20 10 CCCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc(O)c1O ZINC001204340393 803079711 /nfs/dbraw/zinc/07/97/11/803079711.db2.gz PGYQHRGJPCWARI-SNVBAGLBSA-N 1 0 280.324 0.804 20 10 CCCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)C1 ZINC001220489570 804613621 /nfs/dbraw/zinc/61/36/21/804613621.db2.gz AXPIDLCLFRUCDK-MWLCHTKSSA-N 1 0 292.335 0.785 20 10 CCCDRO Cc1cc(C)c(CNC(=O)CNCC[NH3+])c(O)c1 ZINC001220826057 804675474 /nfs/dbraw/zinc/67/54/74/804675474.db2.gz ZCUWGRXEUSQHNY-UHFFFAOYSA-N 1 0 251.330 0.174 20 10 CCCDRO C[N@@H+]1CC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464177 805234789 /nfs/dbraw/zinc/23/47/89/805234789.db2.gz DRBTWBJSDBXSCY-RXMQYKEDSA-N 1 0 257.242 0.298 20 10 CCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)CN1 ZINC001246315633 807219562 /nfs/dbraw/zinc/21/95/62/807219562.db2.gz JODPFOGUOXIRHD-QWRGUYRKSA-N 1 0 280.324 0.481 20 10 CCCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001249213882 807547262 /nfs/dbraw/zinc/54/72/62/807547262.db2.gz APUKIMFDOOHKHC-KBPBESRZSA-N 1 0 290.363 0.996 20 10 CCCDRO Oc1ccc([C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)cc1O ZINC001250956621 807625436 /nfs/dbraw/zinc/62/54/36/807625436.db2.gz CQHZVQORUVSMCF-NXEZZACHSA-N 1 0 281.230 0.644 20 10 CCCDRO CC(C)OC[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252694978 807944612 /nfs/dbraw/zinc/94/46/12/807944612.db2.gz PCYNGTYOLPHUSY-LLVKDONJSA-N 1 0 255.314 0.973 20 10 CCCDRO COC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252818990 807968663 /nfs/dbraw/zinc/96/86/63/807968663.db2.gz RTOJPXLJPOXBFB-LBPRGKRZSA-N 1 0 267.325 0.853 20 10 CCCDRO CC[NH+](CC)C[C@H](O)CNCCc1cc(O)c(O)cc1O ZINC001253205516 808030222 /nfs/dbraw/zinc/03/02/22/808030222.db2.gz DGROSFUURSOGPE-GFCCVEGCSA-N 1 0 298.383 0.638 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCN1C)c1ccccc1O ZINC001263176150 809471134 /nfs/dbraw/zinc/47/11/34/809471134.db2.gz XEVYMAKUXSNAOW-PWSUYJOCSA-N 1 0 263.341 0.473 20 10 CCCDRO CN(C)c1ccc([C@@H](CNC(=O)CON)[NH+](C)C)cc1 ZINC001263260109 809499300 /nfs/dbraw/zinc/49/93/00/809499300.db2.gz QUWAKJSNYONTSM-CYBMUJFWSA-N 1 0 280.372 0.362 20 10 CCCDRO Nc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC001263303925 809505663 /nfs/dbraw/zinc/50/56/63/809505663.db2.gz NHPWSFNMBKSCKU-NSHDSACASA-N 1 0 285.351 0.999 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@](C)(CO)OC)c1O ZINC000702515229 819136647 /nfs/dbraw/zinc/13/66/47/819136647.db2.gz OTOFCUAACLOPCP-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO CN1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000702574975 819146849 /nfs/dbraw/zinc/14/68/49/819146849.db2.gz UKBVPZBCEWAKKD-CQSZACIVSA-N 1 0 280.324 0.277 20 10 CCCDRO CCc1cccc(C[NH2+]CC(=O)N2CCOCC2)c1O ZINC000709511081 819800470 /nfs/dbraw/zinc/80/04/70/819800470.db2.gz XJIHUIHAQWDYSD-UHFFFAOYSA-N 1 0 278.352 0.903 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC001120268743 821525168 /nfs/dbraw/zinc/52/51/68/821525168.db2.gz IJONJDUSLZFNFI-OAHLLOKOSA-N 1 0 288.395 0.665 20 10 CCCDRO CN1CC[N@H+](C)C[C@H]1C(=O)NCc1ccccc1O ZINC001185262555 844387252 /nfs/dbraw/zinc/38/72/52/844387252.db2.gz NUTXWXVCIZUWNG-LBPRGKRZSA-N 1 0 263.341 0.254 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001203620448 844436183 /nfs/dbraw/zinc/43/61/83/844436183.db2.gz FXSYQTRYXIMYHQ-AAEUAGOBSA-N 1 0 267.325 0.576 20 10 CCCDRO C[C@@]1(O)COCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503788 840068260 /nfs/dbraw/zinc/06/82/60/840068260.db2.gz CYFUEGPNWMTBBJ-ZDUSSCGKSA-N 1 0 269.297 0.387 20 10 CCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509281 840072915 /nfs/dbraw/zinc/07/29/15/840072915.db2.gz RQLJMJYONIQLIG-SSDOTTSWSA-N 1 0 252.270 0.111 20 10 CCCDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc(O)c1O ZINC000126224802 840237849 /nfs/dbraw/zinc/23/78/49/840237849.db2.gz KVIQWMWKDUPVAN-LLVKDONJSA-N 1 0 262.309 0.922 20 10 CCCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000398510134 854481247 /nfs/dbraw/zinc/48/12/47/854481247.db2.gz OXKXDOKXPYZZMS-SECBINFHSA-N 1 0 278.308 0.689 20 10 CCCDRO COc1cc(O)c(C[NH2+]CCOCCCO)cc1OC ZINC001117589525 856019204 /nfs/dbraw/zinc/01/92/04/856019204.db2.gz LAVSLHPCZJSQIZ-UHFFFAOYSA-N 1 0 285.340 0.898 20 10 CCCDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC001119420109 856675520 /nfs/dbraw/zinc/67/55/20/856675520.db2.gz CJBIBHSCOJRAKX-LLVKDONJSA-N 1 0 289.335 0.103 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001119607763 856773873 /nfs/dbraw/zinc/77/38/73/856773873.db2.gz LSHJPLVWYVHYEO-LBPRGKRZSA-N 1 0 291.351 0.300 20 10 CCCDRO CC(C)([NH3+])CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331673272 917499717 /nfs/dbraw/zinc/49/97/17/917499717.db2.gz OXDKYHMHTXVNRB-UHFFFAOYSA-N 1 0 291.351 0.478 20 10 CCCDRO CN(C(=O)[C@H](N)CC[NH+](C)C)c1ccc(N)cc1 ZINC001332981367 918578873 /nfs/dbraw/zinc/57/88/73/918578873.db2.gz OHNBYGMWSFLVBK-GFCCVEGCSA-N 1 0 250.346 0.511 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC001333643295 919064459 /nfs/dbraw/zinc/06/44/59/919064459.db2.gz NWOLKJXFIKEXIE-ONGXEEELSA-N 1 0 252.314 0.933 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC001343431703 923313936 /nfs/dbraw/zinc/31/39/36/923313936.db2.gz MVOHWUFJSBXPJG-SWLSCSKDSA-N 1 0 293.411 0.894 20 10 CCCDRO [NH3+][C@H](CO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001357366636 926518703 /nfs/dbraw/zinc/51/87/03/926518703.db2.gz HGAANZNCQNXFTJ-CYBMUJFWSA-N 1 0 295.408 0.176 20 10 CCCDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c(O)c1 ZINC000187548344 351545937 /nfs/dbraw/zinc/54/59/37/351545937.db2.gz UGMKRSBJVVOLSX-SNVBAGLBSA-N 1 0 277.324 0.903 20 10 CCCDRO NC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272484894 353068058 /nfs/dbraw/zinc/06/80/58/353068058.db2.gz TWXRUAXHUVVQJA-JTQLQIEISA-N 1 0 253.277 0.774 20 10 CCCDRO COCC[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282095748 353393007 /nfs/dbraw/zinc/39/30/07/353393007.db2.gz CVDYYZPGLZDTMF-JTQLQIEISA-N 1 0 269.297 0.608 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(=O)NCCF)c1 ZINC000282772447 353451265 /nfs/dbraw/zinc/45/12/65/353451265.db2.gz PRLRVMCXJRYRHP-SECBINFHSA-N 1 0 270.304 0.965 20 10 CCCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)ccc1N(C)C ZINC000294768294 199174377 /nfs/dbraw/zinc/17/43/77/199174377.db2.gz YXWARIPDLYNCDE-HNNXBMFYSA-N 1 0 277.368 0.483 20 10 CCCDRO COc1cccc(C[NH+]2CC(CC(N)=O)C2)c1O ZINC000297387873 200172536 /nfs/dbraw/zinc/17/25/36/200172536.db2.gz KGIRJLGECURXRM-UHFFFAOYSA-N 1 0 250.298 0.708 20 10 CCCDRO COc1cccc(C[N@@H+]2CCCN(C(N)=O)CC2)c1O ZINC000092754231 389032398 /nfs/dbraw/zinc/03/23/98/389032398.db2.gz HJUFCXXLWAXYLJ-UHFFFAOYSA-N 1 0 279.340 0.987 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000182662664 389713379 /nfs/dbraw/zinc/71/33/79/389713379.db2.gz XCBCDVAKEUILPE-CYBMUJFWSA-N 1 0 253.298 0.642 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)CC(C)(CO)CO)c1 ZINC000180313962 389669501 /nfs/dbraw/zinc/66/95/01/389669501.db2.gz KBBQYUXKPQBYOD-UHFFFAOYSA-N 1 0 269.341 0.824 20 10 CCCDRO C[NH+](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180585800 389672898 /nfs/dbraw/zinc/67/28/98/389672898.db2.gz RLOBOLWAXDMITM-GQCTYLIASA-N 1 0 250.298 0.789 20 10 CCCDRO COCC[N@H+](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181019459 389679620 /nfs/dbraw/zinc/67/96/20/389679620.db2.gz DBRPHVQSAMYVTE-GQCTYLIASA-N 1 0 294.351 0.805 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[NH2+]1 ZINC000444267291 389898256 /nfs/dbraw/zinc/89/82/56/389898256.db2.gz JUZSOCHJHFAPAB-LLVKDONJSA-N 1 0 261.325 0.840 20 10 CCCDRO COc1ccc(O)c(CN(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038031121 174025056 /nfs/dbraw/zinc/02/50/56/174025056.db2.gz WRFMJWQNCDGLTB-UHFFFAOYSA-N 1 0 293.367 0.264 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091661996 260266238 /nfs/dbraw/zinc/26/62/38/260266238.db2.gz MOZQGUKSLOTBGT-HUUCEWRRSA-N 1 0 289.379 0.791 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091661997 260266350 /nfs/dbraw/zinc/26/63/50/260266350.db2.gz MOZQGUKSLOTBGT-CABCVRRESA-N 1 0 289.379 0.791 20 10 CCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126424098 260351328 /nfs/dbraw/zinc/35/13/28/260351328.db2.gz AHBDXIAKYRCJLU-SNVBAGLBSA-N 1 0 279.340 0.073 20 10 CCCDRO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1O ZINC000183312443 327818753 /nfs/dbraw/zinc/81/87/53/327818753.db2.gz ZRVGWXACDKAZBL-LLVKDONJSA-N 1 0 277.324 0.985 20 10 CCCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000147626291 327439517 /nfs/dbraw/zinc/43/95/17/327439517.db2.gz YYPCVWBBQSTMQM-UHFFFAOYSA-N 1 0 295.358 0.888 20 10 CCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000291609082 522216773 /nfs/dbraw/zinc/21/67/73/522216773.db2.gz QWVOOXFRCZESIV-UHFFFAOYSA-N 1 0 299.396 0.410 20 10 CCCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N(C)C)cc1 ZINC000130622051 525445643 /nfs/dbraw/zinc/44/56/43/525445643.db2.gz FPKJWPCNLOSAIG-LLVKDONJSA-N 1 0 290.367 0.955 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C2(C(N)=O)CCOCC2)cc1 ZINC000789558254 581151317 /nfs/dbraw/zinc/15/13/17/581151317.db2.gz UWRIWYLWRQONEB-UHFFFAOYSA-N 1 0 277.368 0.877 20 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0.451 20 10 CCCDRO O=C(NCc1ccccc1O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764072413 582030061 /nfs/dbraw/zinc/03/00/61/582030061.db2.gz WQINNVSHUPTVRY-CYBMUJFWSA-N 1 0 275.352 0.398 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@@H]2COCCN2C)cc1OC ZINC000862507574 617207647 /nfs/dbraw/zinc/20/76/47/617207647.db2.gz ICCKXYQGEZABTK-GFCCVEGCSA-N 1 0 296.367 0.830 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000842003518 617254745 /nfs/dbraw/zinc/25/47/45/617254745.db2.gz IGQYIVZYEJJJHJ-IUCAKERBSA-N 1 0 267.329 0.936 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000841943749 617254841 /nfs/dbraw/zinc/25/48/41/617254841.db2.gz UXDUULVLJORRCM-LLVKDONJSA-N 1 0 279.340 0.952 20 10 CCCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[NH3+])C2)cc1 ZINC000818656460 617267907 /nfs/dbraw/zinc/26/79/07/617267907.db2.gz UOXZEWLJJKFYDO-GFCCVEGCSA-N 1 0 292.383 0.779 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)cc1 ZINC000851639377 617267915 /nfs/dbraw/zinc/26/79/15/617267915.db2.gz DTJJCUIPVFIHKW-GFCCVEGCSA-N 1 0 289.379 1.000 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C2)cc1 ZINC000851664241 617268007 /nfs/dbraw/zinc/26/80/07/617268007.db2.gz UWHARTIGDXLTFU-NWDGAFQWSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)CCOC2C[NH2+]C2)c1 ZINC000828667794 617273903 /nfs/dbraw/zinc/27/39/03/617273903.db2.gz UVWSUCVAEHSMGX-JTQLQIEISA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000839153290 617272409 /nfs/dbraw/zinc/27/24/09/617272409.db2.gz FAESCQJETOMURK-AWEZNQCLSA-N 1 0 267.325 0.720 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000877644368 617272685 /nfs/dbraw/zinc/27/26/85/617272685.db2.gz ORIIVTSLRARWKU-GFCCVEGCSA-N 1 0 266.341 0.509 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN(CCO)C[C@@H]2C)c1 ZINC000825338349 617272715 /nfs/dbraw/zinc/27/27/15/617272715.db2.gz OPHBJMPXWVZFLI-LBPRGKRZSA-N 1 0 280.368 0.899 20 10 CCCDRO COc1cccc(O)c1CN1CCCO[C@@H](C[NH3+])C1 ZINC000841100905 617305342 /nfs/dbraw/zinc/30/53/42/617305342.db2.gz NNSJCHPTAXMYNK-NSHDSACASA-N 1 0 266.341 0.950 20 10 CCCDRO CC(=O)c1cc(F)cc(C[NH2+]C(CO)CO)c1O ZINC000846939806 614249397 /nfs/dbraw/zinc/24/93/97/614249397.db2.gz MQQKKHLFHOWMAZ-UHFFFAOYSA-N 1 0 257.261 0.177 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[NH3+] ZINC000842222137 615068127 /nfs/dbraw/zinc/06/81/27/615068127.db2.gz FPNQFMRKNRGYPK-UHFFFAOYSA-N 1 0 292.383 0.176 20 10 CCCDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834565610 615952159 /nfs/dbraw/zinc/95/21/59/615952159.db2.gz VORMGYDSPUTHJV-CYBMUJFWSA-N 1 0 284.381 0.982 20 10 CCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)CO)cc1 ZINC000835045153 616011257 /nfs/dbraw/zinc/01/12/57/616011257.db2.gz KDYOTWWVHPYFLJ-NQHOJNORSA-N 1 0 250.342 0.709 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1F ZINC000852863219 616015534 /nfs/dbraw/zinc/01/55/34/616015534.db2.gz LGGXUUZSCKIBJQ-SMDDNHRTSA-N 1 0 295.358 0.872 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)NCCOCCC[NH3+] ZINC000861692089 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COC(=O)CNC(=O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000877706750 616597368 /nfs/dbraw/zinc/59/73/68/616597368.db2.gz RRQIAYSFPKHWHF-UHFFFAOYSA-N 1 0 297.330 0.271 20 10 CCCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(N)cc2)C1 ZINC000876528006 616781804 /nfs/dbraw/zinc/78/18/04/616781804.db2.gz ODPUFMUXBPPSME-ZFWWWQNUSA-N 1 0 277.368 0.695 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000895702546 616784928 /nfs/dbraw/zinc/78/49/28/616784928.db2.gz QGNYSQXSNIZORF-AWEZNQCLSA-N 1 0 265.309 0.810 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2O)C1 ZINC000895706188 616787608 /nfs/dbraw/zinc/78/76/08/616787608.db2.gz DZGOHRPZUIBVFA-ZDUSSCGKSA-N 1 0 251.282 0.502 20 10 CCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000851685126 616975309 /nfs/dbraw/zinc/97/53/09/616975309.db2.gz NFSLXZDOVQSDIU-LLVKDONJSA-N 1 0 292.383 0.093 20 10 CCCDRO COc1cccc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000164668293 623657061 /nfs/dbraw/zinc/65/70/61/623657061.db2.gz KMCMTPUKGXYXCD-NSHDSACASA-N 1 0 252.314 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OXAUVADQXHHAHO-LBPRGKRZSA-N 1 0 294.351 0.710 20 10 CCCDRO Oc1cc(F)c(F)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234991088 806337071 /nfs/dbraw/zinc/33/70/71/806337071.db2.gz WBCRPUNRTZIDOR-AWEZNQCLSA-N 1 0 283.322 0.808 20 10 CCCDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)cc(O)c1O ZINC001236297414 806563543 /nfs/dbraw/zinc/56/35/43/806563543.db2.gz ZWFDYDIDNFVSJR-ZJUUUORDSA-N 1 0 250.298 0.510 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cccc(OC)c2O)C[C@H]1[NH3+] ZINC001236343201 806573706 /nfs/dbraw/zinc/57/37/06/806573706.db2.gz OMTFQYYOJQKVHG-WDEREUQCSA-N 1 0 280.324 0.333 20 10 CCCDRO COc1cc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c(OC)c1 ZINC001237671153 806708600 /nfs/dbraw/zinc/70/86/00/806708600.db2.gz ZASFYWWYTYAGDY-OAHLLOKOSA-N 1 0 297.351 0.993 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)CNCC[NH3+])c1 ZINC001121951235 799106173 /nfs/dbraw/zinc/10/61/73/799106173.db2.gz NBFXEXJACGZSFI-VIFPVBQESA-N 1 0 267.329 0.126 20 10 CCCDRO COC1(C(=O)NCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001122444681 799236846 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ZINC001206712245 802896625 /nfs/dbraw/zinc/89/66/25/802896625.db2.gz YMTUIDGUKOSTOP-UHFFFAOYSA-N 1 0 252.314 0.887 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc(O)c(O)c1 ZINC001203879954 803051052 /nfs/dbraw/zinc/05/10/52/803051052.db2.gz KRYPVGISIIGBHO-LBPRGKRZSA-N 1 0 266.341 0.860 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204276958 803076351 /nfs/dbraw/zinc/07/63/51/803076351.db2.gz UQKZHWZCXHBOKP-ZIAGYGMSSA-N 1 0 267.325 0.663 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276544 803077175 /nfs/dbraw/zinc/07/71/75/803077175.db2.gz MONTUNJQUBIOSA-PWSUYJOCSA-N 1 0 253.298 0.273 20 10 CCCDRO COc1cc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc(O)c1O ZINC001204343261 803080355 /nfs/dbraw/zinc/08/03/55/803080355.db2.gz RESJVOBXQYXVJS-MNOVXSKESA-N 1 0 292.335 0.626 20 10 CCCDRO COc1cc(O)c(CN2CC(C)([NH3+])C2)cc1OC ZINC001204994085 803113400 /nfs/dbraw/zinc/11/34/00/803113400.db2.gz RTJFBEQNDQCYDO-UHFFFAOYSA-N 1 0 252.314 0.942 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205363557 803137302 /nfs/dbraw/zinc/13/73/02/803137302.db2.gz LNYCXHSDDRVWLO-MWLCHTKSSA-N 1 0 272.732 0.558 20 10 CCCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001206434380 803242129 /nfs/dbraw/zinc/24/21/29/803242129.db2.gz IDSKMMPTDKDPFH-RKDXNWHRSA-N 1 0 256.277 0.675 20 10 CCCDRO [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC001206475370 803250067 /nfs/dbraw/zinc/25/00/67/803250067.db2.gz NFYOSILTKVHHRS-GXSJLCMTSA-N 1 0 256.733 0.797 20 10 CCCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277014610 805100309 /nfs/dbraw/zinc/10/03/09/805100309.db2.gz UWDBQIKHKYZDEL-BETUJISGSA-N 1 0 276.336 0.977 20 10 CCCDRO CCOC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252016261 807760329 /nfs/dbraw/zinc/76/03/29/807760329.db2.gz FIQNNVRBCZQDMH-GWCFXTLKSA-N 1 0 271.313 0.118 20 10 CCCDRO COC(=O)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001252435432 807851661 /nfs/dbraw/zinc/85/16/61/807851661.db2.gz GTBWOWQPQWKZHD-CQSZACIVSA-N 1 0 294.351 0.147 20 10 CCCDRO COC(=O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001252441047 807855695 /nfs/dbraw/zinc/85/56/95/807855695.db2.gz XFPAISOWLUCMMP-LLVKDONJSA-N 1 0 251.282 0.245 20 10 CCCDRO CC(C)(C)OC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253438527 808065777 /nfs/dbraw/zinc/06/57/77/808065777.db2.gz UWDQBFJXMPKKAB-RISCZKNCSA-N 1 0 299.367 0.897 20 10 CCCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NC ZINC000697905249 815192715 /nfs/dbraw/zinc/19/27/15/815192715.db2.gz SJSOLOAWRMHENH-SECBINFHSA-N 1 0 266.297 0.735 20 10 CCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1cccc(O)c1O ZINC001256330337 808498315 /nfs/dbraw/zinc/49/83/15/808498315.db2.gz NOBXZMTYHBTSTR-NSHDSACASA-N 1 0 294.351 0.825 20 10 CCCDRO C[C@@]1(C(=O)NCc2c(O)cccc2F)C[NH2+]CCO1 ZINC001263199667 809478766 /nfs/dbraw/zinc/47/87/66/809478766.db2.gz MUXJGTVJIWXLIZ-ZDUSSCGKSA-N 1 0 268.288 0.526 20 10 CCCDRO COc1ccc(C[NH2+]C2COCCOC2)c(O)c1 ZINC000381337061 809536884 /nfs/dbraw/zinc/53/68/84/809536884.db2.gz JNXJVMRRAAXQBJ-UHFFFAOYSA-N 1 0 253.298 0.906 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](O)C2)c(OC)c1 ZINC001141031444 811672226 /nfs/dbraw/zinc/67/22/26/811672226.db2.gz DXKXMWSYJYHLIU-SNVBAGLBSA-N 1 0 283.324 0.603 20 10 CCCDRO COc1cc(C(=O)NCCCC[NH3+])cc(O)c1O ZINC001221346734 811766577 /nfs/dbraw/zinc/76/65/77/811766577.db2.gz WDOAHBGZJVNNBJ-UHFFFAOYSA-N 1 0 254.286 0.575 20 10 CCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001270067442 813611836 /nfs/dbraw/zinc/61/18/36/813611836.db2.gz JBUBAHVFHJJFIP-BDAKNGLRSA-N 1 0 278.308 0.580 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236171989 817134369 /nfs/dbraw/zinc/13/43/69/817134369.db2.gz HETPTAPZWLYBNK-GFCCVEGCSA-N 1 0 264.325 0.641 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(O)ccc2O)C[C@@H]1[NH3+] ZINC001236346629 817273863 /nfs/dbraw/zinc/27/38/63/817273863.db2.gz JGUMIVDWGWHAAC-MNOVXSKESA-N 1 0 266.297 0.030 20 10 CCCDRO C[C@H](C(=O)NC(N)=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000700970207 818876165 /nfs/dbraw/zinc/87/61/65/818876165.db2.gz WBBUXQRIPARVNE-SECBINFHSA-N 1 0 276.340 0.481 20 10 CCCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001203603230 844316768 /nfs/dbraw/zinc/31/67/68/844316768.db2.gz LAGRWBZRNOKFSL-RYUDHWBXSA-N 1 0 267.325 0.576 20 10 CCCDRO CC(C)(C)[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H](O)CO ZINC001144504334 840069654 /nfs/dbraw/zinc/06/96/54/840069654.db2.gz PWTOVCZUCHJBGQ-SNVBAGLBSA-N 1 0 285.340 0.757 20 10 CCCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001148588123 840853219 /nfs/dbraw/zinc/85/32/19/840853219.db2.gz OXUDYFUETULUIP-GXSJLCMTSA-N 1 0 292.335 0.970 20 10 CCCDRO [NH3+]Cc1ncccc1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148591080 840854915 /nfs/dbraw/zinc/85/49/15/840854915.db2.gz SXBKDRFBWCBKAM-UHFFFAOYSA-N 1 0 275.264 0.909 20 10 CCCDRO CO[C@@]1(C[NH2+]Cc2cccc(C)c2O)CCS(=O)(=O)C1 ZINC000721219884 849646015 /nfs/dbraw/zinc/64/60/15/849646015.db2.gz RAJAZCDXZWPROA-CQSZACIVSA-N 1 0 299.392 0.994 20 10 CCCDRO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1C[NH2+]C1 ZINC001118180519 856189054 /nfs/dbraw/zinc/18/90/54/856189054.db2.gz JOBCYGACJMHNHX-UHFFFAOYSA-N 1 0 292.402 0.981 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001119379340 856660983 /nfs/dbraw/zinc/66/09/83/856660983.db2.gz XYVSEFSEMMMMEV-GFCCVEGCSA-N 1 0 291.351 0.300 20 10 CCCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001324377909 912813199 /nfs/dbraw/zinc/81/31/99/912813199.db2.gz ITVPUNBEANDMQD-GASCZTMLSA-N 1 0 299.374 0.991 20 10 CCCDRO O=C1COC2(CC[NH+](Cc3ccccc3O)CC2)CN1 ZINC001203558458 897818003 /nfs/dbraw/zinc/81/80/03/897818003.db2.gz HVZZFHOWUCZFIV-UHFFFAOYSA-N 1 0 276.336 0.873 20 10 CCCDRO O=C1COC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)CN1 ZINC001203880526 900062587 /nfs/dbraw/zinc/06/25/87/900062587.db2.gz VAFFMDWISVSQNS-UHFFFAOYSA-N 1 0 292.335 0.579 20 10 CCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329504155 915970213 /nfs/dbraw/zinc/97/02/13/915970213.db2.gz HIBPOXCLDGXLIC-SECBINFHSA-N 1 0 277.324 0.040 20 10 CCCDRO C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1ccccc1O ZINC001331727400 917553435 /nfs/dbraw/zinc/55/34/35/917553435.db2.gz FKISREKHUHQDPI-RKDXNWHRSA-N 1 0 263.297 0.673 20 10 CCCDRO CCN(CC[NH3+])C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332127963 917886863 /nfs/dbraw/zinc/88/68/63/917886863.db2.gz LRNBRKHFFSKWRN-UHFFFAOYSA-N 1 0 277.324 0.042 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C(=O)OC ZINC001333841458 919202580 /nfs/dbraw/zinc/20/25/80/919202580.db2.gz OIFDPIDOCZKAMO-TXEJJXNPSA-N 1 0 293.319 0.786 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCCc1nnnn1C ZINC001335131374 919974651 /nfs/dbraw/zinc/97/46/51/919974651.db2.gz BVRCBEYODGQHKB-UHFFFAOYSA-N 1 0 277.328 0.647 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340607618 922138279 /nfs/dbraw/zinc/13/82/79/922138279.db2.gz ZYHONNFPWIHUEZ-CJNGLKHVSA-N 1 0 290.363 0.977 20 10 CCCDRO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)c1ccccc1O ZINC001341540839 922540698 /nfs/dbraw/zinc/54/06/98/922540698.db2.gz JSGASLXPLOMEJY-BHDSKKPTSA-N 1 0 264.325 0.682 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)cc1 ZINC001341798493 922679014 /nfs/dbraw/zinc/67/90/14/922679014.db2.gz QAURLDIUUDLPMZ-GDBMZVCRSA-N 1 0 291.395 0.824 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1c(O)cccc1F ZINC001342538535 922996980 /nfs/dbraw/zinc/99/69/80/922996980.db2.gz ZZNUVGNOSIBWFF-MRVPVSSYSA-N 1 0 256.277 0.511 20 10 CCCDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001342614202 923028069 /nfs/dbraw/zinc/02/80/69/923028069.db2.gz SRSCHZQGDSPFTL-PELKAZGASA-N 1 0 268.288 0.511 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1O ZINC001348994397 924861604 /nfs/dbraw/zinc/86/16/04/924861604.db2.gz XNQGRODJTIIQIN-OUCADQQQSA-N 1 0 289.379 0.958 20 10 CCCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1O ZINC000295000157 199292402 /nfs/dbraw/zinc/29/24/02/199292402.db2.gz IIYQNYCNXZKCGU-NSHDSACASA-N 1 0 290.360 0.949 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000230988667 352124218 /nfs/dbraw/zinc/12/42/18/352124218.db2.gz AEKIELYPNBDCER-UHFFFAOYSA-N 1 0 272.370 0.682 20 10 CCCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000282756439 353449681 /nfs/dbraw/zinc/44/96/81/353449681.db2.gz SXKKJMJIFMKWBZ-VIFPVBQESA-N 1 0 270.304 0.965 20 10 CCCDRO CC[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000295276497 353892517 /nfs/dbraw/zinc/89/25/17/353892517.db2.gz OYURYWZUMZTEIJ-UHFFFAOYSA-N 1 0 256.277 0.918 20 10 CCCDRO CNC(=O)C1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000297487027 200206956 /nfs/dbraw/zinc/20/69/56/200206956.db2.gz USBPKCBMEIKZHH-UHFFFAOYSA-N 1 0 250.298 0.579 20 10 CCCDRO NC(=O)[C@H]1Cc2ccccc2N(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637979462 374524400 /nfs/dbraw/zinc/52/44/00/374524400.db2.gz SICAYJNLHQSGSB-STQMWFEESA-N 1 0 285.347 0.725 20 10 CCCDRO O=C1CC[N@H+](Cc2cc3c(cc2O)OCO3)CCN1 ZINC000044780984 388871927 /nfs/dbraw/zinc/87/19/27/388871927.db2.gz MHFCODAHHOJKMS-UHFFFAOYSA-N 1 0 264.281 0.443 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000174705958 389528480 /nfs/dbraw/zinc/52/84/80/389528480.db2.gz XRVLRLICJCZTKV-AWEZNQCLSA-N 1 0 291.395 0.683 20 10 CCCDRO COc1ccc(O)c(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000180726475 389674424 /nfs/dbraw/zinc/67/44/24/389674424.db2.gz LSHPKUMMWIDOML-RNCFNFMXSA-N 1 0 280.324 0.475 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237151224 329694016 /nfs/dbraw/zinc/69/40/16/329694016.db2.gz ARHJWPYNDTVWTR-AWEZNQCLSA-N 1 0 291.351 0.466 20 10 CCCDRO CN(C(=O)c1cn[nH]c1[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000424148024 330294938 /nfs/dbraw/zinc/29/49/38/330294938.db2.gz SSMTZFOYKZODJW-JTQLQIEISA-N 1 0 288.355 0.887 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000119918141 526964557 /nfs/dbraw/zinc/96/45/57/526964557.db2.gz FEJAGDDCVOQUNW-SECBINFHSA-N 1 0 278.308 0.818 20 10 CCCDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000280243149 527606564 /nfs/dbraw/zinc/60/65/64/527606564.db2.gz IGYFSNOWBVVGQV-JQWIXIFHSA-N 1 0 295.335 0.856 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000366764789 536147785 /nfs/dbraw/zinc/14/77/85/536147785.db2.gz HUPHYFOZRHSLEX-HUUCEWRRSA-N 1 0 289.379 0.842 20 10 CCCDRO CCNC(=O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000777444732 581115780 /nfs/dbraw/zinc/11/57/80/581115780.db2.gz WEANZXIZBKYELF-UHFFFAOYSA-N 1 0 268.313 0.635 20 10 CCCDRO O=C(NCCO)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996253 581172677 /nfs/dbraw/zinc/17/26/77/581172677.db2.gz KYTIBCHGTSUQMR-UHFFFAOYSA-N 1 0 296.342 0.852 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1 ZINC000762556384 581950857 /nfs/dbraw/zinc/95/08/57/581950857.db2.gz PXWYIIGMSFCTJM-OAHLLOKOSA-N 1 0 280.368 0.947 20 10 CCCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776932059 582093720 /nfs/dbraw/zinc/09/37/20/582093720.db2.gz LKRUPUSMMAIINL-UHFFFAOYSA-N 1 0 281.331 0.627 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CC(=O)N(C)C)c1O ZINC000894394480 617175709 /nfs/dbraw/zinc/17/57/09/617175709.db2.gz RTMDOQWTNQRAPZ-UHFFFAOYSA-N 1 0 252.314 0.887 20 10 CCCDRO C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203540 617181156 /nfs/dbraw/zinc/18/11/56/617181156.db2.gz UISDSYCRSVUBTE-SNVBAGLBSA-N 1 0 290.367 0.018 20 10 CCCDRO COc1cc(O)c(C[NH2+]Cc2cnn[nH]2)cc1OC ZINC000862424349 617207803 /nfs/dbraw/zinc/20/78/03/617207803.db2.gz MRZFKCGRKPBLAG-UHFFFAOYSA-N 1 0 264.285 0.817 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000831752791 617267923 /nfs/dbraw/zinc/26/79/23/617267923.db2.gz DSRAUMVJMWFLTG-RYUDHWBXSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000846678207 617274094 /nfs/dbraw/zinc/27/40/94/617274094.db2.gz WNOCLFKBKKBIJI-ZWNOBZJWSA-N 1 0 295.383 0.857 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CCC(CO)(CO)CC2)c1 ZINC000877798291 617272417 /nfs/dbraw/zinc/27/24/17/617272417.db2.gz LXJRMONQFCRZEI-UHFFFAOYSA-N 1 0 281.352 0.968 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000862532137 617273276 /nfs/dbraw/zinc/27/32/76/617273276.db2.gz QSPPWSZCPMDTDS-GFCCVEGCSA-N 1 0 266.341 0.557 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)c1O ZINC000841945206 617299023 /nfs/dbraw/zinc/29/90/23/617299023.db2.gz AEHFYTCUMFEFAM-NSHDSACASA-N 1 0 279.340 0.937 20 10 CCCDRO COc1cccc(O)c1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000843058074 617305362 /nfs/dbraw/zinc/30/53/62/617305362.db2.gz OJUHTLGKWZOERF-IINYFYTJSA-N 1 0 266.341 0.949 20 10 CCCDRO CC[NH+]1CCN(CC(=O)NCc2c(O)cccc2F)CC1 ZINC000928704539 615155250 /nfs/dbraw/zinc/15/52/50/615155250.db2.gz BFLJTTDQIRBYBD-UHFFFAOYSA-N 1 0 295.358 0.785 20 10 CCCDRO CCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785441 615349733 /nfs/dbraw/zinc/34/97/33/615349733.db2.gz RAFQSLSQEHOIEY-GFCCVEGCSA-N 1 0 271.386 0.692 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@@H](O)COC)c(O)c1 ZINC000801733232 615511049 /nfs/dbraw/zinc/51/10/49/615511049.db2.gz UGMXOJJVOWIDLE-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO CCOc1ccc(O)c(C[NH+](CCO)CCO)c1 ZINC000862429059 615511820 /nfs/dbraw/zinc/51/18/20/615511820.db2.gz AJPLHCAVURRAMG-UHFFFAOYSA-N 1 0 255.314 0.578 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000932952720 616014253 /nfs/dbraw/zinc/01/42/53/616014253.db2.gz XOXJUWAXPKCMAM-CYBMUJFWSA-N 1 0 297.424 0.863 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841653086 616015170 /nfs/dbraw/zinc/01/51/70/616015170.db2.gz HGKPRIWPJVAAIV-WDNDVIMCSA-N 1 0 274.368 0.770 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccn(C)n2)cc1 ZINC000857772515 616019815 /nfs/dbraw/zinc/01/98/15/616019815.db2.gz HLEZXWWEQZINCS-CYBMUJFWSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(F)ccc1O ZINC000219687706 616044425 /nfs/dbraw/zinc/04/44/25/616044425.db2.gz ODNOUNZPLDDATM-UHFFFAOYSA-N 1 0 281.331 0.395 20 10 CCCDRO C[N@H+](CCO)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000925001909 616102506 /nfs/dbraw/zinc/10/25/06/616102506.db2.gz ZAYQLDNZAMYVGP-HYXAFXHYSA-N 1 0 280.324 0.151 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852882523 616166891 /nfs/dbraw/zinc/16/68/91/616166891.db2.gz KFBNMZYDJRZQRG-ZDUSSCGKSA-N 1 0 290.367 0.815 20 10 CCCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910955826 616202088 /nfs/dbraw/zinc/20/20/88/616202088.db2.gz GOMGDBYCOXWQLA-OAHLLOKOSA-N 1 0 294.351 0.561 20 10 CCCDRO COCCNC(=O)C1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000839193557 616484950 /nfs/dbraw/zinc/48/49/50/616484950.db2.gz RXSBMFRPQLOVOB-UHFFFAOYSA-N 1 0 282.315 0.916 20 10 CCCDRO COCC[NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666134 616508189 /nfs/dbraw/zinc/50/81/89/616508189.db2.gz AAROREBDDQODAM-JTQLQIEISA-N 1 0 282.340 0.814 20 10 CCCDRO COCC[NH2+]CCNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841049017 616510334 /nfs/dbraw/zinc/51/03/34/616510334.db2.gz XCAVZKHWVRIVPR-UHFFFAOYSA-N 1 0 299.327 0.635 20 10 CCCDRO COCCOCC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000862468889 616541492 /nfs/dbraw/zinc/54/14/92/616541492.db2.gz RJQWDJFOQYIOEO-UHFFFAOYSA-N 1 0 287.331 0.989 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc(C)cc1O ZINC000877705653 616597249 /nfs/dbraw/zinc/59/72/49/616597249.db2.gz NRRQOIBVMWKIRQ-UHFFFAOYSA-N 1 0 266.297 0.079 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894684624 616743945 /nfs/dbraw/zinc/74/39/45/616743945.db2.gz NMOTZAHOEYTOTD-LLVKDONJSA-N 1 0 255.314 0.806 20 10 CCCDRO COC[C@](C)(O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824559030 616839913 /nfs/dbraw/zinc/83/99/13/616839913.db2.gz CUHLZTMABOORKD-CQSZACIVSA-N 1 0 283.324 0.998 20 10 CCCDRO COC[C@]1(C(=O)N(C)c2ccc(N)cc2)C[NH2+]CCO1 ZINC000877076696 616846197 /nfs/dbraw/zinc/84/61/97/616846197.db2.gz PBYVGVBGXFPGJW-AWEZNQCLSA-N 1 0 279.340 0.237 20 10 CCCDRO C[NH2+]CCOCCNC(=O)NCCc1ccc(N)cc1 ZINC000861639765 616966592 /nfs/dbraw/zinc/96/65/92/616966592.db2.gz GZCVQPYNZDSRMF-UHFFFAOYSA-N 1 0 280.372 0.347 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cccc(C)c1O ZINC000877688789 617012035 /nfs/dbraw/zinc/01/20/35/617012035.db2.gz HMLSNLOOTKETRT-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1c(O)cccc1OC ZINC000865706815 617012535 /nfs/dbraw/zinc/01/25/35/617012535.db2.gz IAFOHEHDESYGKH-UHFFFAOYSA-N 1 0 288.369 0.430 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835046380 617020131 /nfs/dbraw/zinc/02/01/31/617020131.db2.gz VSHMJQNYMAXPAF-SNAWJCMRSA-N 1 0 297.424 0.905 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1 ZINC000090023730 624823751 /nfs/dbraw/zinc/82/37/51/624823751.db2.gz SVAXTFRWVRERSJ-NSHDSACASA-N 1 0 278.308 0.638 20 10 CCCDRO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000184185630 625886691 /nfs/dbraw/zinc/88/66/91/625886691.db2.gz NUUFUBZCAZVWLS-MRXNPFEDSA-N 1 0 292.379 0.764 20 10 CCCDRO CC(C)(C[NH2+]Cc1ccccc1O)NS(C)(=O)=O ZINC000067005796 631338580 /nfs/dbraw/zinc/33/85/80/631338580.db2.gz QEZPZRUEEUHKFI-UHFFFAOYSA-N 1 0 272.370 0.810 20 10 CCCDRO Cc1ccc(C[NH2+]CCN(C)CCOCCO)c(O)c1 ZINC000895662096 632122011 /nfs/dbraw/zinc/12/20/11/632122011.db2.gz MKJNIHGJTGQTGG-UHFFFAOYSA-N 1 0 282.384 0.731 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000897684459 633230025 /nfs/dbraw/zinc/23/00/25/633230025.db2.gz PMVKJRHNJUAVFX-KCJUWKMLSA-N 1 0 251.282 0.934 20 10 CCCDRO CCOc1cccc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000164681325 636879108 /nfs/dbraw/zinc/87/91/08/636879108.db2.gz KCASXIKGWYLPFB-LBPRGKRZSA-N 1 0 266.341 0.950 20 10 CCCDRO [O-]c1c(F)cccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841085516 642803130 /nfs/dbraw/zinc/80/31/30/642803130.db2.gz FTGNUAZGVRIGNT-NSHDSACASA-N 1 0 254.305 0.999 20 10 CCCDRO Nc1ccc(-n2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000849134949 643710570 /nfs/dbraw/zinc/71/05/70/643710570.db2.gz YABUDEHYDPRRPJ-UHFFFAOYSA-N 1 0 258.329 0.255 20 10 CCCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1COCCN1 ZINC000863482610 645098836 /nfs/dbraw/zinc/09/88/36/645098836.db2.gz FWCJSVIPVYQRTP-HNNXBMFYSA-N 1 0 291.395 0.601 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000864052853 645155491 /nfs/dbraw/zinc/15/54/91/645155491.db2.gz QJWIQQCABMUALL-AMIZOPFISA-N 1 0 274.311 0.862 20 10 CCCDRO Nc1ccc(OCc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000864635691 645254001 /nfs/dbraw/zinc/25/40/01/645254001.db2.gz SCGHHJXAEXTSOH-GFCCVEGCSA-N 1 0 259.313 0.974 20 10 CCCDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1Cc2cccc(O)c2C1 ZINC000871203829 646119326 /nfs/dbraw/zinc/11/93/26/646119326.db2.gz SGXKBHJVHDPERO-AWEZNQCLSA-N 1 0 287.363 0.624 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000876750928 646657284 /nfs/dbraw/zinc/65/72/84/646657284.db2.gz KQVZVRNPGHNHSG-NSHDSACASA-N 1 0 284.381 0.824 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccccc1O ZINC000877256636 646770601 /nfs/dbraw/zinc/77/06/01/646770601.db2.gz BKZASNOBCSRVAU-PTOFAABTSA-N 1 0 250.298 0.686 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)N(C)C ZINC000877542316 646822108 /nfs/dbraw/zinc/82/21/08/646822108.db2.gz NDFOAZGVPPYQNV-UHFFFAOYSA-N 1 0 272.370 0.682 20 10 CCCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)c(O)c1 ZINC000877542305 646822132 /nfs/dbraw/zinc/82/21/32/646822132.db2.gz MTUBCCMHMAWBEO-UHFFFAOYSA-N 1 0 272.370 0.682 20 10 CCCDRO C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccccc1O ZINC000879649446 647090307 /nfs/dbraw/zinc/09/03/07/647090307.db2.gz UDTVJSAREARKPU-ZJUUUORDSA-N 1 0 277.324 0.983 20 10 CCCDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccc(O)c1O ZINC000879994437 647142134 /nfs/dbraw/zinc/14/21/34/647142134.db2.gz FOXSMXNUJDMVMO-JTQLQIEISA-N 1 0 280.324 0.284 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883196915 647499421 /nfs/dbraw/zinc/49/94/21/647499421.db2.gz YPHXXCJYALOSIS-BLLLJJGKSA-N 1 0 294.395 0.479 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000886294639 647957443 /nfs/dbraw/zinc/95/74/43/647957443.db2.gz CFXHEOWBGVIORU-GXSJLCMTSA-N 1 0 285.365 0.924 20 10 CCCDRO O=C(NCc1c(O)cccc1F)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000928709250 648659109 /nfs/dbraw/zinc/65/91/09/648659109.db2.gz CEHBFVVEGMAZKH-LLVKDONJSA-N 1 0 294.326 0.868 20 10 CCCDRO OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929969758 648808500 /nfs/dbraw/zinc/80/85/00/648808500.db2.gz DADYPCWETODBGW-UONOGXRCSA-N 1 0 281.352 0.726 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210964 648836459 /nfs/dbraw/zinc/83/64/59/648836459.db2.gz QTFZLHOZEASUJN-ZENOOKHLSA-N 1 0 294.395 0.916 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000930699859 648891657 /nfs/dbraw/zinc/89/16/57/648891657.db2.gz LNWBKIYOOJSYOD-ZBFHGGJFSA-N 1 0 292.379 0.308 20 10 CCCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1CCO ZINC000190240597 649438595 /nfs/dbraw/zinc/43/85/95/649438595.db2.gz KRTQCQNFQYWLKI-LLVKDONJSA-N 1 0 294.351 0.619 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304253680 649833616 /nfs/dbraw/zinc/83/36/16/649833616.db2.gz YOMSCJMVKNTBMO-CYBMUJFWSA-N 1 0 298.358 0.759 20 10 CCCDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)cc1O ZINC001231634523 805823395 /nfs/dbraw/zinc/82/33/95/805823395.db2.gz OKJSAZNLFAUMNQ-QPUJVOFHSA-N 1 0 253.298 0.919 20 10 CCCDRO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)cc1O ZINC001231633435 805821947 /nfs/dbraw/zinc/82/19/47/805821947.db2.gz OKJSAZNLFAUMNQ-UFBFGSQYSA-N 1 0 253.298 0.919 20 10 CCCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001231842161 805861361 /nfs/dbraw/zinc/86/13/61/805861361.db2.gz KHOCCEUESVBSKY-SMDDNHRTSA-N 1 0 251.326 0.794 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c(OC)c1 ZINC001277588510 805869118 /nfs/dbraw/zinc/86/91/18/805869118.db2.gz MRGFWKMTZDBKJI-NSHDSACASA-N 1 0 292.335 0.717 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259994 805914709 /nfs/dbraw/zinc/91/47/09/805914709.db2.gz OFYQVGUUIMIBIV-SDBXPKJASA-N 1 0 287.743 0.926 20 10 CCCDRO NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2O1 ZINC001277657983 805932269 /nfs/dbraw/zinc/93/22/69/805932269.db2.gz VNZQXEWHYKNHNA-OSMZGAPFSA-N 1 0 292.335 0.563 20 10 CCCDRO NC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277657426 805933169 /nfs/dbraw/zinc/93/31/69/805933169.db2.gz QGYHVYPTYYAHMR-LBPRGKRZSA-N 1 0 292.335 0.422 20 10 CCCDRO Oc1cc(O)c(CN2CC3(CC(O)C3)C2)cc1O ZINC001233482281 806058870 /nfs/dbraw/zinc/05/88/70/806058870.db2.gz IGENTGANUQLAEV-UHFFFAOYSA-N 1 0 251.282 0.760 20 10 CCCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483193 806060313 /nfs/dbraw/zinc/06/03/13/806060313.db2.gz QLIHBXBXXAHXDD-QMMMGPOBSA-N 1 0 267.281 0.798 20 10 CCCDRO CNC(=O)N1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486994 806062446 /nfs/dbraw/zinc/06/24/46/806062446.db2.gz KXPQMERQUVKDPC-UHFFFAOYSA-N 1 0 281.312 0.260 20 10 CCCDRO Cc1ccc(O)c(CN2CCNC[C@]23CC[NH2+]C3)c1 ZINC001234985746 806329032 /nfs/dbraw/zinc/32/90/32/806329032.db2.gz FEEJQBMPNFRMRH-OAHLLOKOSA-N 1 0 261.369 0.838 20 10 CCCDRO Cc1c(O)ccc(CN2CCNC[C@@]23CC[NH2+]C3)c1O ZINC001234992300 806336856 /nfs/dbraw/zinc/33/68/56/806336856.db2.gz YIKZNQBYVUVPGA-HNNXBMFYSA-N 1 0 277.368 0.544 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC001236055771 806539570 /nfs/dbraw/zinc/53/95/70/806539570.db2.gz WCGANGSVABDYLP-NSHDSACASA-N 1 0 268.288 0.478 20 10 CCCDRO CN(Cc1c(O)cc(O)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236120679 806544070 /nfs/dbraw/zinc/54/40/70/806544070.db2.gz VBBCZTPAKZSBFW-VIFPVBQESA-N 1 0 252.314 0.987 20 10 CCCDRO C[C@@H]1CN(Cc2c(O)cc(O)cc2O)C[C@@H](C)[NH2+]1 ZINC001236578000 806594908 /nfs/dbraw/zinc/59/49/08/806594908.db2.gz JPIYWTWNLWDPPC-RKDXNWHRSA-N 1 0 252.314 0.986 20 10 CCCDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1 ZINC001120591933 798880961 /nfs/dbraw/zinc/88/09/61/798880961.db2.gz MUHJOZXRGGVSCI-GXFFZTMASA-N 1 0 278.356 0.526 20 10 CCCDRO C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@@H](O)CO ZINC001237938696 806737227 /nfs/dbraw/zinc/73/72/27/806737227.db2.gz NKEBBWVSCPYKKW-MRVPVSSYSA-N 1 0 263.696 0.970 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463122 799910203 /nfs/dbraw/zinc/91/02/03/799910203.db2.gz TXHZHQFJONJKEV-SKDRFNHKSA-N 1 0 257.717 0.831 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001140619457 799924818 /nfs/dbraw/zinc/92/48/18/799924818.db2.gz DORANPKQJIMENH-JSGCOSHPSA-N 1 0 251.326 0.876 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC001140745256 799938637 /nfs/dbraw/zinc/93/86/37/799938637.db2.gz BTVGCEAOQRMAHK-SNVBAGLBSA-N 1 0 250.298 0.713 20 10 CCCDRO CN1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1=O ZINC001141160502 799987392 /nfs/dbraw/zinc/98/73/92/799987392.db2.gz XWAIOERMGZLGCH-PWSUYJOCSA-N 1 0 262.309 0.618 20 10 CCCDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)cc(O)c1O ZINC001158225823 801598445 /nfs/dbraw/zinc/59/84/45/801598445.db2.gz RYXBBFAMCSIVGL-VHSXEESVSA-N 1 0 278.308 0.683 20 10 CCCDRO O=C(N1CCc2cccc(O)c2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160872914 802037012 /nfs/dbraw/zinc/03/70/12/802037012.db2.gz PWHGGZJZVVFZBW-MLGOLLRUSA-N 1 0 287.363 0.228 20 10 CCCDRO O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924258 802047482 /nfs/dbraw/zinc/04/74/82/802047482.db2.gz GQTHDCQRFMDOPK-FZMZJTMJSA-N 1 0 292.335 0.095 20 10 CCCDRO C[C@@H]1Oc2ccc(N(CC[NH3+])CCO)cc2NC1=O ZINC001163831569 802620537 /nfs/dbraw/zinc/62/05/37/802620537.db2.gz FOXISLQFNVDCDO-VIFPVBQESA-N 1 0 265.313 0.163 20 10 CCCDRO COC(=O)c1cc(N2CC[C@H]([NH3+])C2)cc2c1OCO2 ZINC001164281711 802705170 /nfs/dbraw/zinc/70/51/70/802705170.db2.gz LCCNPYFRBOSFDB-QMMMGPOBSA-N 1 0 264.281 0.739 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204275809 803075511 /nfs/dbraw/zinc/07/55/11/803075511.db2.gz BSBXNRRJFZSKHX-ZWNOBZJWSA-N 1 0 253.298 0.273 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204275806 803075541 /nfs/dbraw/zinc/07/55/41/803075541.db2.gz BSBXNRRJFZSKHX-GWCFXTLKSA-N 1 0 253.298 0.273 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCCO1 ZINC001204277645 803076578 /nfs/dbraw/zinc/07/65/78/803076578.db2.gz HZBUUEQUFLZMEK-CYBMUJFWSA-N 1 0 281.308 0.862 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)cc(O)c1O ZINC001204346238 803080993 /nfs/dbraw/zinc/08/09/93/803080993.db2.gz HLMLSFHBOPMRCE-HNNXBMFYSA-N 1 0 292.335 0.818 20 10 CCCDRO COc1cc(C)c(CN2C[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205370407 803138756 /nfs/dbraw/zinc/13/87/56/803138756.db2.gz SLAAGCNZAQQLOL-DGCLKSJQSA-N 1 0 252.314 0.213 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206110372 803209369 /nfs/dbraw/zinc/20/93/69/803209369.db2.gz VUIZYTNRAIEWPA-CHWSQXEVSA-N 1 0 294.351 0.002 20 10 CCCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(OC)ccc1O ZINC000088657961 803484794 /nfs/dbraw/zinc/48/47/94/803484794.db2.gz PRHZGDQWUYSCJA-CYBMUJFWSA-N 1 0 294.351 0.738 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000400221710 803765463 /nfs/dbraw/zinc/76/54/63/803765463.db2.gz XAYZMRQUNUNJCR-ZDUSSCGKSA-N 1 0 297.424 0.876 20 10 CCCDRO COC(=O)[C@H](CCO)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218220075 803941596 /nfs/dbraw/zinc/94/15/96/803941596.db2.gz FLJFJNQAJKCRBF-AWEZNQCLSA-N 1 0 294.351 0.399 20 10 CCCDRO O=C(C[C@H]1CCC[NH2+]C1)NCCc1cc(O)c(O)cc1O ZINC001220115582 804504436 /nfs/dbraw/zinc/50/44/36/804504436.db2.gz POMLAZOTKLLAEG-SNVBAGLBSA-N 1 0 294.351 0.852 20 10 CCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CN1 ZINC001246239534 807195778 /nfs/dbraw/zinc/19/57/78/807195778.db2.gz JQCDSWVADNIQRJ-JQWIXIFHSA-N 1 0 280.324 0.481 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CN1 ZINC001246237730 807195814 /nfs/dbraw/zinc/19/58/14/807195814.db2.gz BWUIHTNNEFYKAX-SCVCMEIPSA-N 1 0 264.325 0.946 20 10 CCCDRO CC[NH+](CC)C[C@@H](O)CNCc1ccc(O)cc1O ZINC001253207784 808030886 /nfs/dbraw/zinc/03/08/86/808030886.db2.gz JNCASBYWCFUHPJ-ZDUSSCGKSA-N 1 0 268.357 0.890 20 10 CCCDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253711490 808125874 /nfs/dbraw/zinc/12/58/74/808125874.db2.gz MWSBCXBIHLJXCO-NSHDSACASA-N 1 0 283.324 0.890 20 10 CCCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCCOC2)cc1O ZINC001254361207 808223819 /nfs/dbraw/zinc/22/38/19/808223819.db2.gz SLQAQRAQADGKTB-GXFFZTMASA-N 1 0 253.298 0.900 20 10 CCCDRO C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)c1ccccc1O ZINC001263175701 809471796 /nfs/dbraw/zinc/47/17/96/809471796.db2.gz JSGASLXPLOMEJY-GPCCPHFNSA-N 1 0 264.325 0.682 20 10 CCCDRO C[N@@H+]1CCC2(CN(C(=O)c3ccc(O)c(O)c3)C2)C1 ZINC001270032763 813592748 /nfs/dbraw/zinc/59/27/48/813592748.db2.gz NZALRPCNEGOZJP-UHFFFAOYSA-N 1 0 262.309 0.876 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)C[C@@H]1[NH3+] ZINC001236352369 817282180 /nfs/dbraw/zinc/28/21/80/817282180.db2.gz VRZIYEHJIVRLTI-RYUDHWBXSA-N 1 0 264.325 0.633 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000702574907 819146637 /nfs/dbraw/zinc/14/66/37/819146637.db2.gz UHNKUKZZSDIUMS-HNNXBMFYSA-N 1 0 280.368 0.947 20 10 CCCDRO COc1cccc(C[NH2+]C[C@H]2COCCN2C)c1O ZINC000703960819 819351209 /nfs/dbraw/zinc/35/12/09/819351209.db2.gz ORMOARYMESOXPN-LBPRGKRZSA-N 1 0 266.341 0.821 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC001120268741 821525051 /nfs/dbraw/zinc/52/50/51/821525051.db2.gz IJONJDUSLZFNFI-HNNXBMFYSA-N 1 0 288.395 0.665 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1O ZINC000828637472 821796619 /nfs/dbraw/zinc/79/66/19/821796619.db2.gz YODXOTQMCUTSQG-BXUZGUMPSA-N 1 0 264.325 0.464 20 10 CCCDRO CC1([NH3+])CN(C(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001157665640 837223169 /nfs/dbraw/zinc/22/31/69/837223169.db2.gz HCLCHDVDZHURNM-UHFFFAOYSA-N 1 0 256.689 0.924 20 10 CCCDRO CCOc1cccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001203603231 844317711 /nfs/dbraw/zinc/31/77/11/844317711.db2.gz LAGRWBZRNOKFSL-VXGBXAGGSA-N 1 0 267.325 0.576 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001144503688 840068777 /nfs/dbraw/zinc/06/87/77/840068777.db2.gz AKBJCBLWRRBCRW-DTORHVGOSA-N 1 0 251.282 0.882 20 10 CCCDRO Oc1cc(O)c(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001144503702 840069179 /nfs/dbraw/zinc/06/91/79/840069179.db2.gz AQPBNFLOHWYKFU-UHFFFAOYSA-N 1 0 276.296 0.453 20 10 CCCDRO COC(=O)[C@H]1CN(C)CCN1Cc1c(O)cc(O)cc1O ZINC001144516432 840075741 /nfs/dbraw/zinc/07/57/41/840075741.db2.gz YGABXSQNERTFBF-LLVKDONJSA-N 1 0 296.323 0.092 20 10 CCCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001178912917 842938388 /nfs/dbraw/zinc/93/83/88/842938388.db2.gz ZENXWJXPYKEERV-SECBINFHSA-N 1 0 250.298 0.666 20 10 CCCDRO COc1cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)cc1O ZINC001206433545 843302689 /nfs/dbraw/zinc/30/26/89/843302689.db2.gz FWWPKZXFOZEFDI-ZJUUUORDSA-N 1 0 270.304 0.978 20 10 CCCDRO CN1CCOc2cc(CN3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206525355 843852164 /nfs/dbraw/zinc/85/21/64/843852164.db2.gz NNBOMMPNTNFKQO-JSGCOSHPSA-N 1 0 277.368 0.267 20 10 CCCDRO COC(=O)[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252423003 847947173 /nfs/dbraw/zinc/94/71/73/847947173.db2.gz LMYSUUOXXIKGBM-ZDUSSCGKSA-N 1 0 266.341 0.718 20 10 CCCDRO CC(C)[C@H](CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC001308173501 908395287 /nfs/dbraw/zinc/39/52/87/908395287.db2.gz KNUFFSJHKZQWOJ-HNNXBMFYSA-N 1 0 293.411 0.975 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC001339716142 908478030 /nfs/dbraw/zinc/47/80/30/908478030.db2.gz SQEUEEHLRAVAQT-GXFFZTMASA-N 1 0 265.357 0.144 20 10 CCCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC001328400810 915167404 /nfs/dbraw/zinc/16/74/04/915167404.db2.gz LORRNWYGFRLWIP-LBPRGKRZSA-N 1 0 282.315 0.868 20 10 CCCDRO CN(C)c1cc(F)c(C[NH2+]C[C@](C)(O)CO)cc1F ZINC001329729970 916154515 /nfs/dbraw/zinc/15/45/15/916154515.db2.gz CZSCGGWBRZNVOJ-ZDUSSCGKSA-N 1 0 274.311 0.864 20 10 CCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001331950591 917745608 /nfs/dbraw/zinc/74/56/08/917745608.db2.gz VNKFZUATXNDICV-JTQLQIEISA-N 1 0 279.340 0.204 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccccc1O ZINC001340340644 922059742 /nfs/dbraw/zinc/05/97/42/922059742.db2.gz OLQQLUPOCZVXDY-BXKDBHETSA-N 1 0 252.314 0.225 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)cc1 ZINC001341631017 922590452 /nfs/dbraw/zinc/59/04/52/922590452.db2.gz YPEYEEQTCFVADS-DZGCQCFKSA-N 1 0 277.368 0.482 20 10 CCCDRO CN(CC[NH3+])Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001345103444 923793011 /nfs/dbraw/zinc/79/30/11/923793011.db2.gz FIFRCTWQWCGLBY-UHFFFAOYSA-N 1 0 280.391 0.968 20 10 CCCDRO Nc1ccc(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001346210472 924112423 /nfs/dbraw/zinc/11/24/23/924112423.db2.gz SBHKAWNJNNWJIP-HNNXBMFYSA-N 1 0 288.351 0.784 20 10 CCCDRO O=c1[nH]ccn2c(C[NH2+][C@@H]3CCc4cccc(O)c43)nnc12 ZINC001350087221 925127850 /nfs/dbraw/zinc/12/78/50/925127850.db2.gz ZOGSUZANCZRAPZ-SNVBAGLBSA-N 1 0 297.318 0.900 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCS(C)(=O)=O)c1 ZINC000037740616 348200023 /nfs/dbraw/zinc/20/00/23/348200023.db2.gz GFSJHLHQYCXIOQ-UHFFFAOYSA-N 1 0 259.327 0.535 20 10 CCCDRO COc1cccc(C[NH2+]CCS(C)(=O)=O)c1O ZINC000037740517 348200040 /nfs/dbraw/zinc/20/00/40/348200040.db2.gz NVFPNCZQDXJUNJ-UHFFFAOYSA-N 1 0 259.327 0.535 20 10 CCCDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1O ZINC000230994464 352124864 /nfs/dbraw/zinc/12/48/64/352124864.db2.gz SUAHKMPSLAHMMD-SNVBAGLBSA-N 1 0 272.370 0.934 20 10 CCCDRO COc1cccc(C[NH2+]CCNS(C)(=O)=O)c1O ZINC000020203192 388795029 /nfs/dbraw/zinc/79/50/29/388795029.db2.gz IJTHKVUMXYYAAE-UHFFFAOYSA-N 1 0 274.342 0.040 20 10 CCCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(=O)n(C)c1=O ZINC000091974596 389025708 /nfs/dbraw/zinc/02/57/08/389025708.db2.gz IHSDGOWEWIDCPR-UHFFFAOYSA-N 1 0 289.335 0.422 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000376162500 389730366 /nfs/dbraw/zinc/73/03/66/389730366.db2.gz MIXAEYZDCSWAIL-NSHDSACASA-N 1 0 270.354 0.516 20 10 CCCDRO CCN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000662830188 414823265 /nfs/dbraw/zinc/82/32/65/414823265.db2.gz APOZFRWJSBTWIW-SNVBAGLBSA-N 1 0 288.355 0.887 20 10 CCCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000147626911 260850523 /nfs/dbraw/zinc/85/05/23/260850523.db2.gz BBPHMRSMVVVKIO-NSHDSACASA-N 1 0 295.358 0.873 20 10 CCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165185565 261366750 /nfs/dbraw/zinc/36/67/50/261366750.db2.gz SYOIZMHYFKDNAI-LLVKDONJSA-N 1 0 263.341 0.487 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000187188322 262391888 /nfs/dbraw/zinc/39/18/88/262391888.db2.gz NONFSIAUXSWIRB-LLVKDONJSA-N 1 0 285.413 0.952 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000289467260 523503044 /nfs/dbraw/zinc/50/30/44/523503044.db2.gz ALVRPDTYBBQZBE-AWEZNQCLSA-N 1 0 277.368 0.877 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785984523 581425922 /nfs/dbraw/zinc/42/59/22/581425922.db2.gz IFIMFZLDWFVSPF-SNVBAGLBSA-N 1 0 286.353 0.264 20 10 CCCDRO Cc1cc(O)c(C[NH2+]CCc2nnnn2C)cc1C ZINC000771877728 581832622 /nfs/dbraw/zinc/83/26/22/581832622.db2.gz SFWLZHMBIAPKJA-UHFFFAOYSA-N 1 0 261.329 0.865 20 10 CCCDRO O=C1NC(=O)N2CC[N@@H+](Cc3ccccc3O)C[C@@H]12 ZINC000761215819 581897088 /nfs/dbraw/zinc/89/70/88/581897088.db2.gz JBOARNPJXPOVAX-JTQLQIEISA-N 1 0 261.281 0.128 20 10 CCCDRO COc1ccc(CNC(=[NH2+])N2CCOCC2)c(O)c1 ZINC000849025131 617252655 /nfs/dbraw/zinc/25/26/55/617252655.db2.gz ORJBEQRHHHRTQW-UHFFFAOYSA-N 1 0 265.313 0.757 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@@H](C)C[NH3+])c(O)c1 ZINC000841962857 617254590 /nfs/dbraw/zinc/25/45/90/617254590.db2.gz MHHPKGIPMCNKLC-VIFPVBQESA-N 1 0 267.329 0.795 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)C[NH3+])cc1 ZINC000846697393 617267113 /nfs/dbraw/zinc/26/71/13/617267113.db2.gz PUHCUAKVJJZOJD-UHFFFAOYSA-N 1 0 251.330 0.549 20 10 CCCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000918746353 617272769 /nfs/dbraw/zinc/27/27/69/617272769.db2.gz WOZYPDOJXIHECK-NSHDSACASA-N 1 0 279.340 0.904 20 10 CCCDRO COc1cccc(C[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000858325483 617300396 /nfs/dbraw/zinc/30/03/96/617300396.db2.gz ZBYYBCPTVFPCHA-SECBINFHSA-N 1 0 268.313 0.899 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH3+] ZINC000842222879 614585558 /nfs/dbraw/zinc/58/55/58/614585558.db2.gz VFIULHSJOFUZMB-UHFFFAOYSA-N 1 0 293.367 0.596 20 10 CCCDRO CC[N@H+](CC(N)=O)Cc1ccc(OC)c(OC)c1O ZINC000893965505 614958165 /nfs/dbraw/zinc/95/81/65/614958165.db2.gz QWGSOGPHBIUDRA-UHFFFAOYSA-N 1 0 268.313 0.717 20 10 CCCDRO CCOc1cccc(CN2CCOC3(C[NH2+]C3)C2)c1O ZINC000853249511 615516485 /nfs/dbraw/zinc/51/64/85/615516485.db2.gz QSZYSRJIYLTALC-UHFFFAOYSA-N 1 0 278.352 0.965 20 10 CCCDRO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877077557 615816536 /nfs/dbraw/zinc/81/65/36/615816536.db2.gz MSUKZYVAPABLCP-LBPRGKRZSA-N 1 0 276.340 0.100 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)cc1F ZINC000876742406 616015513 /nfs/dbraw/zinc/01/55/13/616015513.db2.gz XTXJQNUNHPUMIE-OAHLLOKOSA-N 1 0 295.358 0.886 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1 ZINC000839181435 616016055 /nfs/dbraw/zinc/01/60/55/616016055.db2.gz XLMOWRPTFNLAJO-AWEZNQCLSA-N 1 0 275.356 0.495 20 10 CCCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928710719 616202198 /nfs/dbraw/zinc/20/21/98/616202198.db2.gz WFEMSDZASWMWJQ-OAHLLOKOSA-N 1 0 296.342 0.994 20 10 CCCDRO CN1CCO[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759588 616252641 /nfs/dbraw/zinc/25/26/41/616252641.db2.gz DAPHCVQTMYSDED-LLVKDONJSA-N 1 0 284.743 0.992 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895708149 616561407 /nfs/dbraw/zinc/56/14/07/616561407.db2.gz PUDPFEYUZBZYQZ-CQSZACIVSA-N 1 0 295.291 0.231 20 10 CCCDRO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648021 616561927 /nfs/dbraw/zinc/56/19/27/616561927.db2.gz VZHQVLITRWHFSV-SNVBAGLBSA-N 1 0 280.324 0.722 20 10 CCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764365 616693025 /nfs/dbraw/zinc/69/30/25/616693025.db2.gz JTTFPKGSAWVDDL-ZDUSSCGKSA-N 1 0 293.367 0.568 20 10 CCCDRO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877192452 616889602 /nfs/dbraw/zinc/88/96/02/616889602.db2.gz QSYDFKAZIZJSET-CYBMUJFWSA-N 1 0 264.325 0.647 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817981976 616917966 /nfs/dbraw/zinc/91/79/66/616917966.db2.gz AKPPKWYACMJAPP-PWSUYJOCSA-N 1 0 294.351 0.818 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000801733092 616922894 /nfs/dbraw/zinc/92/28/94/616922894.db2.gz UAENOOCJPSWAHM-INIZCTEOSA-N 1 0 293.411 0.535 20 10 CCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869087 616937129 /nfs/dbraw/zinc/93/71/29/616937129.db2.gz UJBPPIZGDGMODX-UHFFFAOYSA-N 1 0 277.368 0.483 20 10 CCCDRO C[NH2+]CCOCCNC(=O)NCc1ccccc1O ZINC000861676109 616967349 /nfs/dbraw/zinc/96/73/49/616967349.db2.gz NZQBIAQEWSSHAF-UHFFFAOYSA-N 1 0 267.329 0.427 20 10 CCCDRO CO[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274842 617048305 /nfs/dbraw/zinc/04/83/05/617048305.db2.gz ZREOMDIQZBQPPD-MFKMUULPSA-N 1 0 265.357 0.904 20 10 CCCDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000050394755 624811014 /nfs/dbraw/zinc/81/10/14/624811014.db2.gz UNENOBTZWWEILP-HNNXBMFYSA-N 1 0 289.379 0.891 20 10 CCCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CNOC1 ZINC000904420999 634748887 /nfs/dbraw/zinc/74/88/87/634748887.db2.gz KXCJCFMTOCLOHM-CYBMUJFWSA-N 1 0 263.341 0.516 20 10 CCCDRO COc1ccc(C[N@H+](C[C@H](O)CO)C(C)C)c(O)c1OC ZINC000894981546 631889081 /nfs/dbraw/zinc/88/90/81/631889081.db2.gz LYWVZJSUURHQNK-LBPRGKRZSA-N 1 0 299.367 0.973 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304253685 632508038 /nfs/dbraw/zinc/50/80/38/632508038.db2.gz YOMSCJMVKNTBMO-ZDUSSCGKSA-N 1 0 298.358 0.759 20 10 CCCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000839180325 640305724 /nfs/dbraw/zinc/30/57/24/640305724.db2.gz SLSLVLNJAZPBLH-LLVKDONJSA-N 1 0 282.731 0.788 20 10 CCCDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc(O)c1O ZINC000833559998 642539650 /nfs/dbraw/zinc/53/96/50/642539650.db2.gz YLJOBTMUARQYGN-NSHDSACASA-N 1 0 294.351 0.674 20 10 CCCDRO Oc1cc2c(cc1CNC[C@@H]1C[NH2+]CCCO1)OCO2 ZINC000841087666 642802877 /nfs/dbraw/zinc/80/28/77/642802877.db2.gz UZIOJVGCOYSNLY-NSHDSACASA-N 1 0 280.324 0.589 20 10 CCCDRO C[C@H](NC(=O)N(CC[NH3+])CCO)c1ccc(N(C)C)cc1 ZINC000841880942 642849977 /nfs/dbraw/zinc/84/99/77/642849977.db2.gz KPRPVKZDHRZYFN-LBPRGKRZSA-N 1 0 294.399 0.776 20 10 CCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035344 642872411 /nfs/dbraw/zinc/87/24/11/642872411.db2.gz GARBTYDWSCFLMM-NSHDSACASA-N 1 0 292.383 0.174 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842153591 642877338 /nfs/dbraw/zinc/87/73/38/642877338.db2.gz NWVFGLYKAKESNJ-NSHDSACASA-N 1 0 292.383 0.141 20 10 CCCDRO Nc1ccc(CC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000842509766 642902896 /nfs/dbraw/zinc/90/28/96/642902896.db2.gz MADQALCIFUIWRJ-CYBMUJFWSA-N 1 0 263.341 0.388 20 10 CCCDRO OC[C@H](CCF)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846097828 643379602 /nfs/dbraw/zinc/37/96/02/643379602.db2.gz WBDMDOLXIUACIX-VIFPVBQESA-N 1 0 257.261 0.931 20 10 CCCDRO C[S@](=O)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116919482 644725868 /nfs/dbraw/zinc/72/58/68/644725868.db2.gz WPIORABAZIHHPC-GOSISDBHSA-N 1 0 271.338 0.979 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000877466108 646818795 /nfs/dbraw/zinc/81/87/95/646818795.db2.gz XSRTUMBATBHGES-JTQLQIEISA-N 1 0 270.354 0.563 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877763867 646840104 /nfs/dbraw/zinc/84/01/04/646840104.db2.gz LVTPZXFJNCYFIE-TXEJJXNPSA-N 1 0 251.326 0.733 20 10 CCCDRO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)c(O)cc1O ZINC001231636651 805824304 /nfs/dbraw/zinc/82/43/04/805824304.db2.gz ZFTWPAUAHNCRPE-UHFFFAOYSA-N 1 0 280.324 0.771 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)cc1O ZINC001231634239 805821505 /nfs/dbraw/zinc/82/15/05/805821505.db2.gz JRJWWWLLMTUJHW-LSDHHAIUSA-N 1 0 297.351 0.672 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)cc1O ZINC001231634318 805822610 /nfs/dbraw/zinc/82/26/10/805822610.db2.gz LEOBKWXHOPKGEH-TVQRCGJNSA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)cc1O ZINC001231633888 805822819 /nfs/dbraw/zinc/82/28/19/805822819.db2.gz CEXRKGGCNRPPSB-MNOVXSKESA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(O)cc1O ZINC001231633321 805823094 /nfs/dbraw/zinc/82/30/94/805823094.db2.gz LWRROAJTYDQOFB-OAHLLOKOSA-N 1 0 292.335 0.818 20 10 CCCDRO CCN(Cc1cc(O)c(O)c(O)c1)C1CN(C)C1 ZINC001233015309 806006814 /nfs/dbraw/zinc/00/68/14/806006814.db2.gz JWPWXMWVVADEDM-UHFFFAOYSA-N 1 0 252.314 0.939 20 10 CCCDRO Oc1cc(O)c(CN2CCO[C@]3(CCOC3)C2)cc1O ZINC001233483452 806059711 /nfs/dbraw/zinc/05/97/11/806059711.db2.gz ZNSTYCNTIHJXCT-CQSZACIVSA-N 1 0 281.308 0.795 20 10 CCCDRO CN1C[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1=O ZINC001233484767 806062795 /nfs/dbraw/zinc/06/27/95/806062795.db2.gz WTEGOQKIWZDBLY-ZJUUUORDSA-N 1 0 278.308 0.323 20 10 CCCDRO CN(C)c1ccc(CN2CCNC[C@]23CC[NH2+]C3)cc1 ZINC001234982240 806326911 /nfs/dbraw/zinc/32/69/11/806326911.db2.gz NTKGCURQVNNGTQ-MRXNPFEDSA-N 1 0 274.412 0.890 20 10 CCCDRO Cc1cccc(CN2CCNC[C@@]23CC[NH2+]C3)c1O ZINC001234986184 806330397 /nfs/dbraw/zinc/33/03/97/806330397.db2.gz BUHRGHVEZLFBIQ-HNNXBMFYSA-N 1 0 261.369 0.838 20 10 CCCDRO Oc1ccc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)c1 ZINC001234991194 806337498 /nfs/dbraw/zinc/33/74/98/806337498.db2.gz WGJNFEMVZBPUPK-AWEZNQCLSA-N 1 0 263.341 0.235 20 10 CCCDRO CCOc1cccc(CN2CC[NH2+]C[C@H]2C(=O)OC)c1O ZINC001236052939 806536369 /nfs/dbraw/zinc/53/63/69/806536369.db2.gz KPLKXPKVRSBCQF-LBPRGKRZSA-N 1 0 294.351 0.738 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(O)cccc1F ZINC001236198808 806551745 /nfs/dbraw/zinc/55/17/45/806551745.db2.gz WFDWPFCJRKTPFO-KCJUWKMLSA-N 1 0 268.288 0.606 20 10 CCCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC001236298476 806563679 /nfs/dbraw/zinc/56/36/79/806563679.db2.gz UZQJIFFCZZROAE-GHMZBOCLSA-N 1 0 264.325 0.813 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1OC ZINC001236749550 806607481 /nfs/dbraw/zinc/60/74/81/806607481.db2.gz JVESOFJIKISQGT-PWSUYJOCSA-N 1 0 283.324 0.194 20 10 CCCDRO COc1cc(C)c(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC001236810995 806612439 /nfs/dbraw/zinc/61/24/39/806612439.db2.gz MRDHLIAWZCFRET-UHFFFAOYSA-N 1 0 293.367 0.312 20 10 CCCDRO COc1cccc(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)c1O ZINC001120670751 798911315 /nfs/dbraw/zinc/91/13/15/798911315.db2.gz LVYPOGBPCUVNTC-HOMQSWHASA-N 1 0 279.340 0.937 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC001122172587 799160612 /nfs/dbraw/zinc/16/06/12/799160612.db2.gz DDZWCQASJLXDQB-PRHODGIISA-N 1 0 270.304 0.364 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122174290 799161093 /nfs/dbraw/zinc/16/10/93/799161093.db2.gz VCODMRYBMNVYPT-XPTSAGLGSA-N 1 0 280.299 0.384 20 10 CCCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001238065700 806746865 /nfs/dbraw/zinc/74/68/65/806746865.db2.gz YZUXTCHAQGMZSS-CMPLNLGQSA-N 1 0 255.289 0.625 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001140744318 799938318 /nfs/dbraw/zinc/93/83/18/799938318.db2.gz TYTZEYLMLXLOJJ-PWSUYJOCSA-N 1 0 253.298 0.191 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140950168 799963736 /nfs/dbraw/zinc/96/37/36/799963736.db2.gz SXUPCGZPOXJJKK-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161967 799986420 /nfs/dbraw/zinc/98/64/20/799986420.db2.gz IPXBCGWRXNZPSL-LLVKDONJSA-N 1 0 250.298 0.808 20 10 CCCDRO O=C1COC[C@@H]2C[N@H+](Cc3ccccc3O)CCN12 ZINC001203558283 803034606 /nfs/dbraw/zinc/03/46/06/803034606.db2.gz BMWKRVQWFQVQMU-LBPRGKRZSA-N 1 0 262.309 0.435 20 10 CCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203875623 803049552 /nfs/dbraw/zinc/04/95/52/803049552.db2.gz SAMPNVBPESSASP-NHYWBVRUSA-N 1 0 293.319 0.719 20 10 CCCDRO C[C@@]1(CO)C[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875158 803049715 /nfs/dbraw/zinc/04/97/15/803049715.db2.gz JGBRXKBNKBNRHG-KBPBESRZSA-N 1 0 267.325 0.663 20 10 CCCDRO C[C@]1(O)COCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275816 803075140 /nfs/dbraw/zinc/07/51/40/803075140.db2.gz BYJCVLSTBQPLHE-CYBMUJFWSA-N 1 0 253.298 0.681 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276545 803075800 /nfs/dbraw/zinc/07/58/00/803075800.db2.gz MONTUNJQUBIOSA-ZYHUDNBSSA-N 1 0 253.298 0.273 20 10 CCCDRO CC[N@H+](CCC(N)=O)Cc1cc(O)c(O)c(OC)c1 ZINC001204341454 803079658 /nfs/dbraw/zinc/07/96/58/803079658.db2.gz CSRVUHHEPJSEJT-UHFFFAOYSA-N 1 0 268.313 0.804 20 10 CCCDRO COc1cc(CN2CC[C@H](O)[C@@H](CO)C2)cc(O)c1O ZINC001204343835 803080282 /nfs/dbraw/zinc/08/02/82/803080282.db2.gz SYEXXPPQCCDADU-MNOVXSKESA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc(O)c1O ZINC001204345703 803080972 /nfs/dbraw/zinc/08/09/72/803080972.db2.gz VIMIYDBQGAHBJT-SECBINFHSA-N 1 0 266.297 0.414 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075739 803202593 /nfs/dbraw/zinc/20/25/93/803202593.db2.gz XHYUTOREIHQVOP-ZWNOBZJWSA-N 1 0 278.352 0.887 20 10 CCCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400255533 803767550 /nfs/dbraw/zinc/76/75/50/803767550.db2.gz FKXCVQMWKANKPK-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO [NH3+][C@@H](CC(F)F)C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115629 804504496 /nfs/dbraw/zinc/50/44/96/804504496.db2.gz RBAUOVWQAKELSI-ZETCQYMHSA-N 1 0 290.266 0.445 20 10 CCCDRO Oc1ccc([C@H](O)CN[C@@H]2CCC[NH2+]C2)cc1O ZINC001246074852 807143049 /nfs/dbraw/zinc/14/30/49/807143049.db2.gz QYTDFHCQLHGNPA-ZWNOBZJWSA-N 1 0 252.314 0.473 20 10 CCCDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253701113 808121271 /nfs/dbraw/zinc/12/12/71/808121271.db2.gz KIYNBTQJPKEPSV-ZDUSSCGKSA-N 1 0 297.351 0.933 20 10 CCCDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001255466259 808378023 /nfs/dbraw/zinc/37/80/23/808378023.db2.gz LZYJVQFBJZHIKY-BXUZGUMPSA-N 1 0 266.341 0.815 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)O)cc1F ZINC001263097849 809441732 /nfs/dbraw/zinc/44/17/32/809441732.db2.gz KUJXDEWYPZTSHB-GFCCVEGCSA-N 1 0 283.347 0.606 20 10 CCCDRO Nc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC001263303552 809505080 /nfs/dbraw/zinc/50/50/80/809505080.db2.gz AGBCDGGWJKJNKQ-DOMZBBRYSA-N 1 0 275.352 0.511 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1OC ZINC001204836321 814851228 /nfs/dbraw/zinc/85/12/28/814851228.db2.gz DAMGKKHSOLYSTQ-ZJUUUORDSA-N 1 0 270.304 0.890 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(C)cccc2O)C[C@H]1[NH3+] ZINC001236354710 817282105 /nfs/dbraw/zinc/28/21/05/817282105.db2.gz PKVFANQMNZWYBE-VXGBXAGGSA-N 1 0 264.325 0.633 20 10 CCCDRO CC(=O)N1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001169502820 836307830 /nfs/dbraw/zinc/30/78/30/836307830.db2.gz VIDKABABEGEIAU-LLVKDONJSA-N 1 0 280.324 0.556 20 10 CCCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001169507611 836313194 /nfs/dbraw/zinc/31/31/94/836313194.db2.gz VESMXGANDYXMCT-LLVKDONJSA-N 1 0 250.298 0.808 20 10 CCCDRO CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001169563962 836354706 /nfs/dbraw/zinc/35/47/06/836354706.db2.gz AJKQFKOBCPSPQW-WFASDCNBSA-N 1 0 294.351 0.732 20 10 CCCDRO CN1CCCc2cc(CN3CC[C@@H](O)[C@H]([NH3+])C3)ccc21 ZINC001206086693 839359286 /nfs/dbraw/zinc/35/92/86/839359286.db2.gz KCDCILYLGUBMAT-GDBMZVCRSA-N 1 0 275.396 0.963 20 10 CCCDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510011 840072337 /nfs/dbraw/zinc/07/23/37/840072337.db2.gz PPTQDOJQBFUOOW-OAHLLOKOSA-N 1 0 292.335 0.906 20 10 CCCDRO COC(=O)C1(O)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516246 840073765 /nfs/dbraw/zinc/07/37/65/840073765.db2.gz VFFPOKNVHBBHJU-UHFFFAOYSA-N 1 0 297.307 0.303 20 10 CCCDRO CN(C1C[NH+](Cc2c(O)cc(O)cc2O)C1)[C@H]1CCOC1 ZINC001144514608 840074671 /nfs/dbraw/zinc/07/46/71/840074671.db2.gz LYLDKRXIKWSTIB-JTQLQIEISA-N 1 0 294.351 0.708 20 10 CCCDRO COc1cc(CN2C[C@H](F)C[C@H]([NH3+])C2)cc(O)c1O ZINC001206414966 843138850 /nfs/dbraw/zinc/13/88/50/843138850.db2.gz SIOCQMZLMIWOCU-ZJUUUORDSA-N 1 0 270.304 0.978 20 10 CCCDRO C[NH+]1CCC(O)(C(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001182031971 843681954 /nfs/dbraw/zinc/68/19/54/843681954.db2.gz FVLDZNZLZNCCQR-UHFFFAOYSA-N 1 0 290.363 0.734 20 10 CCCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001275821018 848835625 /nfs/dbraw/zinc/83/56/25/848835625.db2.gz FUIYACMFOQHKSO-TXEJJXNPSA-N 1 0 264.325 0.613 20 10 CCCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001326276916 913863931 /nfs/dbraw/zinc/86/39/31/913863931.db2.gz IZSQSSYGGIVLKU-WDEREUQCSA-N 1 0 293.367 0.593 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293588944 906494487 /nfs/dbraw/zinc/49/44/87/906494487.db2.gz BCFKZBQADZUGJN-GFCCVEGCSA-N 1 0 294.351 0.477 20 10 CCCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC001338625948 921529701 /nfs/dbraw/zinc/52/97/01/921529701.db2.gz KYJMTFIOXSBUPX-YPMHNXCESA-N 1 0 276.384 0.966 20 10 CCCDRO Nc1ccc(CC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC001331726253 917551825 /nfs/dbraw/zinc/55/18/25/917551825.db2.gz RZYJUMKCYOVRCQ-UHFFFAOYSA-N 1 0 263.341 0.435 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1CS(N)(=O)=O ZINC001336285030 920702214 /nfs/dbraw/zinc/70/22/14/920702214.db2.gz GVVQIWYMFXTESP-PWSUYJOCSA-N 1 0 283.397 0.625 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242722 922399204 /nfs/dbraw/zinc/39/92/04/922399204.db2.gz RXWQPXBBAMUUOM-DOMZBBRYSA-N 1 0 288.395 0.316 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[NH2+]CCN2C)c1 ZINC001341827235 922689935 /nfs/dbraw/zinc/68/99/35/922689935.db2.gz VVFFIDXVBURRAP-ZWNOBZJWSA-N 1 0 293.367 0.482 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(O)cc1O ZINC001347696354 924514125 /nfs/dbraw/zinc/51/41/25/924514125.db2.gz WTZXAWGAENNIIT-ZWNOBZJWSA-N 1 0 291.351 0.102 20 10 CCCDRO O=C(NCc1ccccc1O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001357497893 926551401 /nfs/dbraw/zinc/55/14/01/926551401.db2.gz GSIZFJCPOBJQRJ-HNNXBMFYSA-N 1 0 289.335 0.907 20 10 CCCDRO C[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1O ZINC000111235844 349767927 /nfs/dbraw/zinc/76/79/27/349767927.db2.gz TUZRPAMCDGFPPN-UHFFFAOYSA-N 1 0 262.309 0.973 20 10 CCCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1O ZINC000295131892 199361624 /nfs/dbraw/zinc/36/16/24/199361624.db2.gz YEAQEYDFIZBPKN-NSHDSACASA-N 1 0 272.370 0.810 20 10 CCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000165187051 350787784 /nfs/dbraw/zinc/78/77/84/350787784.db2.gz YGFZGTIFKVSFGA-OAHLLOKOSA-N 1 0 289.379 0.891 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000187176916 351532204 /nfs/dbraw/zinc/53/22/04/351532204.db2.gz QHAWHUIOHOOLNS-SECBINFHSA-N 1 0 258.343 0.592 20 10 CCCDRO CC(=O)c1cc(F)cc(CN(C)[C@@H]2COC[C@H]2O)c1O ZINC000286019707 353562384 /nfs/dbraw/zinc/56/23/84/353562384.db2.gz PUWZBWPOMYDSAX-CHWSQXEVSA-N 1 0 283.299 0.925 20 10 CCCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000364325956 357108452 /nfs/dbraw/zinc/10/84/52/357108452.db2.gz SMYUTTJSLGBGPX-WDEREUQCSA-N 1 0 257.717 0.973 20 10 CCCDRO Cc1cc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)ccc1N(C)C ZINC000294768297 199174752 /nfs/dbraw/zinc/17/47/52/199174752.db2.gz YXWARIPDLYNCDE-OAHLLOKOSA-N 1 0 277.368 0.483 20 10 CCCDRO COCCN(CC(=O)N(C)C)Cc1ccccc1O ZINC000179559642 389658977 /nfs/dbraw/zinc/65/89/77/389658977.db2.gz IAXQSRSYQQSIOM-UHFFFAOYSA-N 1 0 266.341 0.929 20 10 CCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000165186206 261366685 /nfs/dbraw/zinc/36/66/85/261366685.db2.gz YGFZGTIFKVSFGA-HNNXBMFYSA-N 1 0 289.379 0.891 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)COC1(C)C[NH2+]C1 ZINC000098061132 649855154 /nfs/dbraw/zinc/85/51/54/649855154.db2.gz PQAQEXIOJOZTOZ-UHFFFAOYSA-N 1 0 264.325 0.729 20 10 CCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000274229285 328209939 /nfs/dbraw/zinc/20/99/39/328209939.db2.gz RRFRERWFEKLSFY-YGRLFVJLSA-N 1 0 294.351 0.476 20 10 CCCDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000276466228 328218556 /nfs/dbraw/zinc/21/85/56/328218556.db2.gz MDNQBIARYYZYNO-ZETCQYMHSA-N 1 0 283.715 0.765 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252548449 334382362 /nfs/dbraw/zinc/38/23/62/334382362.db2.gz MOZQGUKSLOTBGT-GJZGRUSLSA-N 1 0 289.379 0.791 20 10 CCCDRO CCOc1cccc(C[NH2+]CC(=O)N(C)C)c1O ZINC000037225413 521358449 /nfs/dbraw/zinc/35/84/49/521358449.db2.gz CHVJLFKEEPFPLS-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278503155 521745450 /nfs/dbraw/zinc/74/54/50/521745450.db2.gz OJBTZLOINJHUES-QMMMGPOBSA-N 1 0 297.311 0.923 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000043800729 522202928 /nfs/dbraw/zinc/20/29/28/522202928.db2.gz LQNYRXGSUZCNLH-CYBMUJFWSA-N 1 0 263.341 0.357 20 10 CCCDRO CO[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289468355 523931947 /nfs/dbraw/zinc/93/19/47/523931947.db2.gz AOTILDHZXRTCKA-GFCCVEGCSA-N 1 0 269.320 0.482 20 10 CCCDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cccc(O)c1O ZINC000290376672 524060735 /nfs/dbraw/zinc/06/07/35/524060735.db2.gz BPVLOMKOKHHVHK-UHFFFAOYSA-N 1 0 295.383 0.711 20 10 CCCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000235716803 525236452 /nfs/dbraw/zinc/23/64/52/525236452.db2.gz GRPWRFQLHJWXIC-AWEZNQCLSA-N 1 0 278.308 0.818 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000761216036 581897161 /nfs/dbraw/zinc/89/71/61/581897161.db2.gz KTHRGQHHYAVOCA-NSHDSACASA-N 1 0 275.308 0.437 20 10 CCCDRO O=C(NCc1ccccc1O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764072416 582030304 /nfs/dbraw/zinc/03/03/04/582030304.db2.gz WQINNVSHUPTVRY-ZDUSSCGKSA-N 1 0 275.352 0.398 20 10 CCCDRO COc1ccc(O)c(CNC(=O)[C@H](C)[NH+](C)C)c1 ZINC000750023223 582030727 /nfs/dbraw/zinc/03/07/27/582030727.db2.gz VJBGPJTZRGDDJA-VIFPVBQESA-N 1 0 252.314 0.967 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000894084253 617175167 /nfs/dbraw/zinc/17/51/67/617175167.db2.gz ISOMKBKOAUVDTA-LBPRGKRZSA-N 1 0 291.351 0.919 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000895054710 617176170 /nfs/dbraw/zinc/17/61/70/617176170.db2.gz AKRJFPNYIRNNGL-LLVKDONJSA-N 1 0 292.335 0.946 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@H]2COC[C@H]2OC)cc1OC ZINC000843428178 617207636 /nfs/dbraw/zinc/20/76/36/617207636.db2.gz QVAHNOUFHQGFFJ-QMTHXVAHSA-N 1 0 283.324 0.913 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@](C)(CO)OC)cc1OC ZINC000848921671 617207732 /nfs/dbraw/zinc/20/77/32/617207732.db2.gz FYUHUTOOFFXTME-CQSZACIVSA-N 1 0 285.340 0.896 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c(O)c1OC ZINC000895433474 617251659 /nfs/dbraw/zinc/25/16/59/617251659.db2.gz NDVKNVXINWFQKH-XHDPSFHLSA-N 1 0 297.351 0.727 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)c(O)c1 ZINC000846682247 617255147 /nfs/dbraw/zinc/25/51/47/617255147.db2.gz MTHXPTWTIHQJAR-LBPRGKRZSA-N 1 0 281.356 0.296 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c(O)c1 ZINC000907925507 617256761 /nfs/dbraw/zinc/25/67/61/617256761.db2.gz HYDXESIZSSRVEJ-ABAIWWIYSA-N 1 0 294.351 0.472 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H]2COCO2)c(O)c1OC ZINC000894890466 617258272 /nfs/dbraw/zinc/25/82/72/617258272.db2.gz SCWWZMTZNNEHQC-JTQLQIEISA-N 1 0 269.297 0.872 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)COCC[NH3+])C2)cc1 ZINC000852844406 617267960 /nfs/dbraw/zinc/26/79/60/617267960.db2.gz UVIIEKQCWZGHAQ-GFCCVEGCSA-N 1 0 293.367 0.365 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000828667703 617274124 /nfs/dbraw/zinc/27/41/24/617274124.db2.gz TXEPCOQYGKKVKJ-ZYHUDNBSSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000843421625 617272452 /nfs/dbraw/zinc/27/24/52/617272452.db2.gz JUPPWUFXQDDEDC-CYBMUJFWSA-N 1 0 278.352 0.652 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000825016873 617305113 /nfs/dbraw/zinc/30/51/13/617305113.db2.gz IRPNCUXHTFVYJS-DGCLKSJQSA-N 1 0 253.298 0.592 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCCn1cc(CO)nn1 ZINC000810162605 617305207 /nfs/dbraw/zinc/30/52/07/617305207.db2.gz NFQUKBIPYYKBSQ-UHFFFAOYSA-N 1 0 292.339 0.665 20 10 CCCDRO CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286384 613951615 /nfs/dbraw/zinc/95/16/15/613951615.db2.gz ZCBGUICLQHTCAC-IINYFYTJSA-N 1 0 292.383 0.393 20 10 CCCDRO CC(=O)c1cc(F)cc(CN(C)C[C@H](O)C[NH3+])c1O ZINC000842475818 614249478 /nfs/dbraw/zinc/24/94/78/614249478.db2.gz VBFUTQCFRISXJJ-LLVKDONJSA-N 1 0 270.304 0.485 20 10 CCCDRO CC1(C(N)=O)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843416493 614498794 /nfs/dbraw/zinc/49/87/94/614498794.db2.gz UAFJAFOKSXWCGG-UHFFFAOYSA-N 1 0 289.379 0.830 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(O)C[NH2+]C1 ZINC000852882663 615067993 /nfs/dbraw/zinc/06/79/93/615067993.db2.gz NSQWMHSMJYDMBN-UHFFFAOYSA-N 1 0 277.368 0.435 20 10 CCCDRO CC[NH2+]CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851639922 615079689 /nfs/dbraw/zinc/07/96/89/615079689.db2.gz NCWISKGKWCCKDJ-LBPRGKRZSA-N 1 0 277.368 1.000 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCNC2=O)c1 ZINC000886324397 615512144 /nfs/dbraw/zinc/51/21/44/615512144.db2.gz NTELBJAIMSWDLD-UHFFFAOYSA-N 1 0 279.340 0.906 20 10 CCCDRO CCc1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000848904964 615682942 /nfs/dbraw/zinc/68/29/42/615682942.db2.gz FGFFLQSEIGECDG-LBPRGKRZSA-N 1 0 284.381 0.817 20 10 CCCDRO CCc1cccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)c1O ZINC000848902570 615683125 /nfs/dbraw/zinc/68/31/25/615683125.db2.gz PSFJUMVKNJZYTG-ZDUSSCGKSA-N 1 0 278.352 0.901 20 10 CCCDRO CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccc(N)cc1 ZINC000877074516 615892044 /nfs/dbraw/zinc/89/20/44/615892044.db2.gz MXGOBHYNVHCSDE-HZMBPMFUSA-N 1 0 261.325 0.468 20 10 CCCDRO CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)c1ccc(N)cc1 ZINC000877077580 615937245 /nfs/dbraw/zinc/93/72/45/615937245.db2.gz NNRIUNDZKHSETL-UHFFFAOYSA-N 1 0 271.324 0.914 20 10 CCCDRO CN1CCCc2cc(CNC(=O)[C@@H](N)C[NH+](C)C)ccc21 ZINC000876741508 615942559 /nfs/dbraw/zinc/94/25/59/615942559.db2.gz VBNSWPUUBATADV-AWEZNQCLSA-N 1 0 290.411 0.574 20 10 CCCDRO CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839166094 616014321 /nfs/dbraw/zinc/01/43/21/616014321.db2.gz PJJQBOWQGVGKAB-TZMCWYRMSA-N 1 0 250.342 0.538 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2C[NH3+])cc1 ZINC000844221116 616014398 /nfs/dbraw/zinc/01/43/98/616014398.db2.gz VMBVNSYWOBXHHD-OAHLLOKOSA-N 1 0 290.411 0.792 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCOCC2)cc1 ZINC000842785060 616019676 /nfs/dbraw/zinc/01/96/76/616019676.db2.gz LGNZDJNBQVIJLB-CQSZACIVSA-N 1 0 292.383 0.794 20 10 CCCDRO CN(CC[N@H+](C)CCO)C(=O)C1=CC(=O)CS1 ZINC000912603824 616101053 /nfs/dbraw/zinc/10/10/53/616101053.db2.gz MVQMPULWMTUROT-UHFFFAOYSA-N 1 0 258.343 0.450 20 10 CCCDRO COCC[NH2+]CC(=O)N[C@@H](C)c1ccccc1O ZINC000870988208 616508107 /nfs/dbraw/zinc/50/81/07/616508107.db2.gz IUXABJDPKYJNCR-JTQLQIEISA-N 1 0 252.314 0.805 20 10 CCCDRO COCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841653187 616509446 /nfs/dbraw/zinc/50/94/46/616509446.db2.gz HUHXPPWIAOJZNT-UHFFFAOYSA-N 1 0 294.399 0.788 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000880566176 616560679 /nfs/dbraw/zinc/56/06/79/616560679.db2.gz WAOUUPGZYBAUFY-OAHLLOKOSA-N 1 0 278.352 0.862 20 10 CCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877679632 616583192 /nfs/dbraw/zinc/58/31/92/616583192.db2.gz PHASSMNTCJJQAM-QWRGUYRKSA-N 1 0 294.351 0.856 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884204904 616636283 /nfs/dbraw/zinc/63/62/83/616636283.db2.gz HPMCGPNAQAUWRE-GFCCVEGCSA-N 1 0 283.347 0.872 20 10 CCCDRO COCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278129 616830404 /nfs/dbraw/zinc/83/04/04/616830404.db2.gz AUMNLTVXTHVVBC-ZDUSSCGKSA-N 1 0 265.357 0.905 20 10 CCCDRO COC[C@]1(C(=O)N[C@H](C)c2ccccc2O)C[NH2+]CCO1 ZINC000877255483 616852741 /nfs/dbraw/zinc/85/27/41/616852741.db2.gz DYKAGRPTJPDJIA-ABAIWWIYSA-N 1 0 294.351 0.574 20 10 CCCDRO C[NH2+]CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754022 616937463 /nfs/dbraw/zinc/93/74/63/616937463.db2.gz RYHAVUDFDKBALV-LBPRGKRZSA-N 1 0 277.368 0.857 20 10 CCCDRO C[NH2+]CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841037299 616963189 /nfs/dbraw/zinc/96/31/89/616963189.db2.gz XGMWDLQKFLXCRY-UHFFFAOYSA-N 1 0 267.348 0.971 20 10 CCCDRO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(F)ccc1O ZINC000903278054 634549825 /nfs/dbraw/zinc/54/98/25/634549825.db2.gz CVWHFTFDWXTJER-NHYWBVRUSA-N 1 0 298.358 0.875 20 10 CCCDRO Fc1cc(C[NH2+][C@H]2CNOC2)ccc1N1CCOCC1 ZINC000904426639 634744790 /nfs/dbraw/zinc/74/47/90/634744790.db2.gz DERSHRDPMDETLW-LBPRGKRZSA-N 1 0 281.331 0.655 20 10 CCCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000897684458 633229560 /nfs/dbraw/zinc/22/95/60/633229560.db2.gz PMVKJRHNJUAVFX-GZMMTYOYSA-N 1 0 251.282 0.934 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911782429 636377485 /nfs/dbraw/zinc/37/74/85/636377485.db2.gz IYXAUFUKDRRORZ-RDBSUJKOSA-N 1 0 259.353 0.783 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000183449405 638557140 /nfs/dbraw/zinc/55/71/40/638557140.db2.gz WDDKPYKPQYSOOO-SECBINFHSA-N 1 0 250.298 0.708 20 10 CCCDRO CS(=O)(=O)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000083552235 638854976 /nfs/dbraw/zinc/85/49/76/638854976.db2.gz OYPINQBMWVDKJV-UHFFFAOYSA-N 1 0 278.761 0.684 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@]1(CO)COCCN1C ZINC000922535583 639717889 /nfs/dbraw/zinc/71/78/89/639717889.db2.gz IZAFHMKDSHSUOC-HNNXBMFYSA-N 1 0 296.367 0.184 20 10 CCCDRO OC[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000923008845 639999100 /nfs/dbraw/zinc/99/91/00/639999100.db2.gz YQOXBBOAWPMUJD-CZMCAQCFSA-N 1 0 251.282 0.981 20 10 CCCDRO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839532201 640335718 /nfs/dbraw/zinc/33/57/18/640335718.db2.gz KDGXQQFXTZJITQ-WFASDCNBSA-N 1 0 291.395 0.824 20 10 CCCDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000828833669 642123585 /nfs/dbraw/zinc/12/35/85/642123585.db2.gz JBXMKWPUIHVPFM-STQMWFEESA-N 1 0 293.411 0.975 20 10 CCCDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000829918187 642210899 /nfs/dbraw/zinc/21/08/99/642210899.db2.gz KOHBZOUAIQZSLQ-ZDUSSCGKSA-N 1 0 290.411 0.563 20 10 CCCDRO Nc1ccc(CCNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000832659296 642509780 /nfs/dbraw/zinc/50/97/80/642509780.db2.gz YPCKEAHLLROSJH-ZDUSSCGKSA-N 1 0 263.341 0.306 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000841101242 642803181 /nfs/dbraw/zinc/80/31/81/642803181.db2.gz SYTRPAWKPYZCON-NSHDSACASA-N 1 0 280.324 0.671 20 10 CCCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CNCCO1 ZINC000841098502 642803281 /nfs/dbraw/zinc/80/32/81/642803281.db2.gz HCHFDLDQBIZTKQ-MRXNPFEDSA-N 1 0 291.395 0.601 20 10 CCCDRO Oc1ccc(F)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925935 643690012 /nfs/dbraw/zinc/69/00/12/643690012.db2.gz IMHLFBOIIRCUJY-QWHCGFSZSA-N 1 0 266.316 0.782 20 10 CCCDRO Nc1ccc(CCNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000851663450 643866904 /nfs/dbraw/zinc/86/69/04/643866904.db2.gz ZRHIIGIMQPWVSP-UHFFFAOYSA-N 1 0 274.368 0.944 20 10 CCCDRO O[C@@H]1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000858299217 644605665 /nfs/dbraw/zinc/60/56/65/644605665.db2.gz RHHWEOBPDDOOFB-CQSZACIVSA-N 1 0 262.353 0.778 20 10 CCCDRO Nc1ccc(OCc2cn(C[C@@H]3C[NH2+]CCO3)nn2)cc1 ZINC000864650882 645260764 /nfs/dbraw/zinc/26/07/64/645260764.db2.gz NMGLDBXQOOOATL-AWEZNQCLSA-N 1 0 289.339 0.428 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988308 646073812 /nfs/dbraw/zinc/07/38/12/646073812.db2.gz MGRKBAYDPIWRRK-BXKDBHETSA-N 1 0 250.298 0.558 20 10 CCCDRO Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC000876555417 646624578 /nfs/dbraw/zinc/62/45/78/646624578.db2.gz XUWTWYSXPROKOT-UHFFFAOYSA-N 1 0 263.341 0.304 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])c1ccccc1O ZINC000877255657 646771261 /nfs/dbraw/zinc/77/12/61/646771261.db2.gz GOZGTGPAOCBPIP-XWIASGKRSA-N 1 0 264.325 0.933 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCCn1cc(CO)nn1 ZINC000877539842 646821990 /nfs/dbraw/zinc/82/19/90/646821990.db2.gz PRHXIEDIFUGCFM-UHFFFAOYSA-N 1 0 276.340 0.964 20 10 CCCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000879609294 647080931 /nfs/dbraw/zinc/08/09/31/647080931.db2.gz PZWPBOPCGDNHPT-CABCVRRESA-N 1 0 264.369 0.989 20 10 CCCDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000879651986 647089734 /nfs/dbraw/zinc/08/97/34/647089734.db2.gz SDMGTEBLEYZMGX-WDEREUQCSA-N 1 0 293.367 0.636 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001231590685 805820202 /nfs/dbraw/zinc/82/02/02/805820202.db2.gz DTMXFARJWNKKHI-CHWSQXEVSA-N 1 0 251.326 0.876 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231593292 805820480 /nfs/dbraw/zinc/82/04/80/805820480.db2.gz SXOHQUBIUONDQS-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001232259988 805915178 /nfs/dbraw/zinc/91/51/78/805915178.db2.gz OFYQVGUUIMIBIV-AMIZOPFISA-N 1 0 287.743 0.926 20 10 CCCDRO NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2O1 ZINC001277657985 805933130 /nfs/dbraw/zinc/93/31/30/805933130.db2.gz VNZQXEWHYKNHNA-QKCSRTOESA-N 1 0 292.335 0.563 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233014796 806005793 /nfs/dbraw/zinc/00/57/93/806005793.db2.gz CHDRILYUWZOZHO-LLVKDONJSA-N 1 0 282.340 0.566 20 10 CCCDRO CN(Cc1cc(O)c(O)cc1O)[C@H]1CC[N@H+](C)C1 ZINC001233485854 806060820 /nfs/dbraw/zinc/06/08/20/806060820.db2.gz NJYBPMBHFZNVJM-JTQLQIEISA-N 1 0 252.314 0.939 20 10 CCCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)O1 ZINC001233486696 806061032 /nfs/dbraw/zinc/06/10/32/806061032.db2.gz YFPFKOFANXKWPZ-CQSZACIVSA-N 1 0 294.307 0.878 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233486870 806062466 /nfs/dbraw/zinc/06/24/66/806062466.db2.gz GTLHQAGYCUYLMJ-CYBMUJFWSA-N 1 0 297.307 0.567 20 10 CCCDRO COc1cc(CN2CCNC[C@]23CC[NH2+]C3)c(O)cc1O ZINC001234986117 806329939 /nfs/dbraw/zinc/32/99/39/806329939.db2.gz AKWREIADSHCTQC-OAHLLOKOSA-N 1 0 293.367 0.244 20 10 CCCDRO Oc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc(O)c1O ZINC001235044978 806351834 /nfs/dbraw/zinc/35/18/34/806351834.db2.gz PENDEVYFQJBQDQ-VHSXEESVSA-N 1 0 250.298 0.740 20 10 CCCDRO CN(C)c1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064878 806367813 /nfs/dbraw/zinc/36/78/13/806367813.db2.gz YQBMENCXDPRJDL-MRXNPFEDSA-N 1 0 290.411 0.596 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(C)cccc1O ZINC001236198334 806550919 /nfs/dbraw/zinc/55/09/19/806550919.db2.gz AZMLOEXKFPBYKS-JQWIXIFHSA-N 1 0 264.325 0.775 20 10 CCCDRO CCOc1cccc(CN2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)c1O ZINC001236343420 806573680 /nfs/dbraw/zinc/57/36/80/806573680.db2.gz PKTHXTMWRNEIMO-NWDGAFQWSA-N 1 0 294.351 0.723 20 10 CCCDRO CCOc1ccc(CN2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)c(O)c1 ZINC001236352897 806583831 /nfs/dbraw/zinc/58/38/31/806583831.db2.gz NJUHMVLUTSEOQV-CHWSQXEVSA-N 1 0 294.351 0.723 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)c(O)cc2O)C[C@@H]1[NH3+] ZINC001236362731 806588230 /nfs/dbraw/zinc/58/82/30/806588230.db2.gz YWHVAILETXGNJP-ZJUUUORDSA-N 1 0 296.323 0.039 20 10 CCCDRO C[C@H]1CN(Cc2cc(O)c(O)cc2O)C[C@H](C)[NH2+]1 ZINC001236579411 806594353 /nfs/dbraw/zinc/59/43/53/806594353.db2.gz LHTSLYGZSVAIMC-IUCAKERBSA-N 1 0 252.314 0.986 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237669817 806708091 /nfs/dbraw/zinc/70/80/91/806708091.db2.gz OMOADFDEALUTME-YPMHNXCESA-N 1 0 297.351 0.585 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237669814 806709086 /nfs/dbraw/zinc/70/90/86/806709086.db2.gz OMOADFDEALUTME-AAEUAGOBSA-N 1 0 297.351 0.585 20 10 CCCDRO Cc1c(O)ccc(C[NH+]2CC(N3CCOCC3)C2)c1O ZINC001140745820 799939900 /nfs/dbraw/zinc/93/99/00/799939900.db2.gz NUXMKRIRFVGUND-UHFFFAOYSA-N 1 0 278.352 0.923 20 10 CCCDRO NC(=O)[C@H]1COCCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254741 806792405 /nfs/dbraw/zinc/79/24/05/806792405.db2.gz GDEYIBZCWXFUFK-GFCCVEGCSA-N 1 0 294.326 0.855 20 10 CCCDRO CN1CCOc2cc(C[N@H+](C)C[C@@H](O)CO)ccc21 ZINC001141141980 799984866 /nfs/dbraw/zinc/98/48/66/799984866.db2.gz BXFHQNBYHAYUOD-GFCCVEGCSA-N 1 0 266.341 0.300 20 10 CCCDRO C[NH+]1CCC(C(=O)NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001143316242 800230588 /nfs/dbraw/zinc/23/05/88/800230588.db2.gz AXVSFCHUONNUFZ-UHFFFAOYSA-N 1 0 292.335 0.739 20 10 CCCDRO C[C@H](O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047292 800588320 /nfs/dbraw/zinc/58/83/20/800588320.db2.gz AGRHLERCKRVNLU-VIFPVBQESA-N 1 0 293.327 0.549 20 10 CCCDRO COc1cccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001203590496 803036228 /nfs/dbraw/zinc/03/62/28/803036228.db2.gz ZVMXNCXETXZQKO-GHMZBOCLSA-N 1 0 253.298 0.186 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1 ZINC001203669482 803042154 /nfs/dbraw/zinc/04/21/54/803042154.db2.gz DKYXACLMYQAIAQ-GJZGRUSLSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206480944 803251942 /nfs/dbraw/zinc/25/19/42/803251942.db2.gz MJVAREYVNDEMEE-JOYOIKCWSA-N 1 0 286.759 0.806 20 10 CCCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H](N)C[NH3+] ZINC001218582156 804019877 /nfs/dbraw/zinc/01/98/77/804019877.db2.gz UPQHFZANAMHTGY-MBFLTIPASA-N 1 0 299.338 0.891 20 10 CCCDRO O=C(CNC(=O)[C@H]1CC[NH2+]C[C@@H]1F)c1ccc(O)c(O)c1 ZINC001220490025 804614220 /nfs/dbraw/zinc/61/42/20/804614220.db2.gz PQTHOOCAWALCSH-UWVGGRQHSA-N 1 0 296.298 0.344 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CN1 ZINC001246865848 807413625 /nfs/dbraw/zinc/41/36/25/807413625.db2.gz SXLRVZJAOLWPET-RYUDHWBXSA-N 1 0 264.325 0.728 20 10 CCCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)C(=O)OC ZINC001252425457 807836726 /nfs/dbraw/zinc/83/67/26/807836726.db2.gz DBGUABRGJFONDN-LBPRGKRZSA-N 1 0 253.298 0.748 20 10 CCCDRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001262553051 809339074 /nfs/dbraw/zinc/33/90/74/809339074.db2.gz MOKDOTBKRCFTCZ-HOMQSWHASA-N 1 0 289.335 0.088 20 10 CCCDRO CN(CCC[NH2+]Cc1cc(F)ccc1O)S(C)(=O)=O ZINC000692437486 811190286 /nfs/dbraw/zinc/19/02/86/811190286.db2.gz XVAWVPDOLBIHLR-UHFFFAOYSA-N 1 0 290.360 0.902 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC001236344102 817271577 /nfs/dbraw/zinc/27/15/77/817271577.db2.gz MXTQBCXVTAIZNX-ONGXEEELSA-N 1 0 268.288 0.463 20 10 CCCDRO CO[C@](C)(CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000702527110 819141620 /nfs/dbraw/zinc/14/16/20/819141620.db2.gz GCAVUSDOCBZKIQ-ZDUSSCGKSA-N 1 0 269.297 0.608 20 10 CCCDRO [NH3+]C[C@]1(C(=O)NCc2ccccc2O)CCCOC1 ZINC000710469573 819827724 /nfs/dbraw/zinc/82/77/24/819827724.db2.gz DPZHVAFHSQMRPL-CQSZACIVSA-N 1 0 264.325 0.764 20 10 CCCDRO CC(=O)Nc1cc2c(cc1N1CC[C@@H]([NH3+])C1)OCO2 ZINC001164280906 820744961 /nfs/dbraw/zinc/74/49/61/820744961.db2.gz LSGSILWZJATOEF-SECBINFHSA-N 1 0 263.297 0.911 20 10 CCCDRO Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(O)c1 ZINC001119243276 821067921 /nfs/dbraw/zinc/06/79/21/821067921.db2.gz OJZJWWHISAKRCE-UHFFFAOYSA-N 1 0 299.392 0.730 20 10 CCCDRO O=C(CN1C(=O)CSC1=S)N1CC[NH+]2CCC1CC2 ZINC001144844371 840159015 /nfs/dbraw/zinc/15/90/15/840159015.db2.gz RXHBEAOQLBIXEO-UHFFFAOYSA-N 1 0 299.421 0.153 20 10 CCCDRO NC1(C(=O)N2CCc3cccc(O)c3C2)CC[NH2+]CC1 ZINC001160871797 840245492 /nfs/dbraw/zinc/24/54/92/840245492.db2.gz AAMBKSKUIRBFCS-UHFFFAOYSA-N 1 0 275.352 0.358 20 10 CCCDRO CCN1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001173347936 842045514 /nfs/dbraw/zinc/04/55/14/842045514.db2.gz JXTCOTNIIFJHMZ-FZMZJTMJSA-N 1 0 266.341 0.815 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001275275391 848682633 /nfs/dbraw/zinc/68/26/33/848682633.db2.gz JAUIEPPHUOPQHA-BETUJISGSA-N 1 0 278.352 0.916 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH2+]CC2)cc1 ZINC000037801191 849254856 /nfs/dbraw/zinc/25/48/56/849254856.db2.gz IXSGJEQQDAGXJR-UHFFFAOYSA-N 1 0 290.411 0.616 20 10 CCCDRO [NH3+]CC1(C(=O)NCc2ccccc2O)CC(O)C1 ZINC001340195635 922003321 /nfs/dbraw/zinc/00/33/21/922003321.db2.gz NTVLNSTURVTYCB-UHFFFAOYSA-N 1 0 250.298 0.108 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1c(O)cccc1F ZINC001349385462 924946264 /nfs/dbraw/zinc/94/62/64/924946264.db2.gz ZRCHDHWOSIFTHX-GWCFXTLKSA-N 1 0 293.342 0.536 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000271777129 353033976 /nfs/dbraw/zinc/03/39/76/353033976.db2.gz DPKAULVTGIQDED-SNVBAGLBSA-N 1 0 265.313 0.643 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1F ZINC000295549291 353902623 /nfs/dbraw/zinc/90/26/23/353902623.db2.gz KCXHYMPAVUHDEE-DGCLKSJQSA-N 1 0 254.305 0.741 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000294699012 199140324 /nfs/dbraw/zinc/14/03/24/199140324.db2.gz CWSBDOUNYFDYIB-GFCCVEGCSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000157172499 389329693 /nfs/dbraw/zinc/32/96/93/389329693.db2.gz CTRPEGFNLQCSSS-SNVBAGLBSA-N 1 0 250.298 0.708 20 10 CCCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000168189331 389449425 /nfs/dbraw/zinc/44/94/25/389449425.db2.gz HTPAEJQIPISOEO-ASCAZGACSA-N 1 0 271.338 0.978 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000372747359 389456096 /nfs/dbraw/zinc/45/60/96/389456096.db2.gz XZQMRCFWTVCFGN-GFCCVEGCSA-N 1 0 284.381 0.954 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCOCC2)c1 ZINC000182442795 389708757 /nfs/dbraw/zinc/70/87/57/389708757.db2.gz TYFCOUVZPKUOBE-NSHDSACASA-N 1 0 294.351 0.910 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000376168098 389730888 /nfs/dbraw/zinc/73/08/88/389730888.db2.gz VBVFVWNMHQXCPZ-NSHDSACASA-N 1 0 288.344 0.655 20 10 CCCDRO O=C(NCc1ccccc1O)NC[C@@H]1COCC[NH2+]1 ZINC000529382512 390825370 /nfs/dbraw/zinc/82/53/70/390825370.db2.gz UGECHJVDYUWVBO-LLVKDONJSA-N 1 0 265.313 0.180 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CC(CC(N)=O)C2)c1 ZINC000297332825 263203405 /nfs/dbraw/zinc/20/34/05/263203405.db2.gz FBDRAFDYYJJUQU-UHFFFAOYSA-N 1 0 250.298 0.708 20 10 CCCDRO COc1cccc(C[NH2+][C@H](C)CS(C)(=O)=O)c1O ZINC000078639194 278012817 /nfs/dbraw/zinc/01/28/17/278012817.db2.gz YGEZXYLAVLPKQM-SECBINFHSA-N 1 0 273.354 0.924 20 10 CCCDRO CCOc1cccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1O ZINC000278377375 521343604 /nfs/dbraw/zinc/34/36/04/521343604.db2.gz LGHHLGZVCPIWRA-QWRGUYRKSA-N 1 0 253.298 0.328 20 10 CCCDRO CCS(=O)(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000069172821 521642650 /nfs/dbraw/zinc/64/26/50/521642650.db2.gz ZWCNLJYIMIBYFA-UHFFFAOYSA-N 1 0 273.354 0.925 20 10 CCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000082276307 521961616 /nfs/dbraw/zinc/96/16/16/521961616.db2.gz WXMPAFCWAVVHRS-UHFFFAOYSA-N 1 0 263.341 0.359 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000279800873 522684277 /nfs/dbraw/zinc/68/42/77/522684277.db2.gz NMOCYYAWUFGRQS-VIFPVBQESA-N 1 0 286.284 0.406 20 10 CCCDRO CO[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000227374202 523931645 /nfs/dbraw/zinc/93/16/45/523931645.db2.gz ZVWXGNPDGFGODW-GFCCVEGCSA-N 1 0 251.330 0.343 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000289578013 524734193 /nfs/dbraw/zinc/73/41/93/524734193.db2.gz JVULNGVPTSYCQQ-DGCLKSJQSA-N 1 0 253.298 0.592 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C2(C(N)=O)CC2)cc1F ZINC000792173390 581275795 /nfs/dbraw/zinc/27/57/95/581275795.db2.gz FZLMKRFFBQWKPF-UHFFFAOYSA-N 1 0 251.305 0.999 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000792175292 581276108 /nfs/dbraw/zinc/27/61/08/581276108.db2.gz SAOMNEVZGDOMQA-UHFFFAOYSA-N 1 0 250.298 0.898 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(O)c1 ZINC000794383444 581366531 /nfs/dbraw/zinc/36/65/31/581366531.db2.gz NZFHVXXVAGTMTP-LLVKDONJSA-N 1 0 264.325 0.969 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000768137661 581645853 /nfs/dbraw/zinc/64/58/53/581645853.db2.gz LNQCUNXRZDTVNX-VIFPVBQESA-N 1 0 250.298 0.708 20 10 CCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000732289844 581817773 /nfs/dbraw/zinc/81/77/73/581817773.db2.gz XJMSGJAHGXZDHQ-JTQLQIEISA-N 1 0 283.397 0.819 20 10 CCCDRO COc1cccc(C[NH2+]CCc2nnnn2C)c1O ZINC000771873419 581832041 /nfs/dbraw/zinc/83/20/41/581832041.db2.gz MKQWLLKINCWSLK-UHFFFAOYSA-N 1 0 263.301 0.257 20 10 CCCDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2=CC(=O)CS2)C1 ZINC000762819230 581964316 /nfs/dbraw/zinc/96/43/16/581964316.db2.gz YZXGREWANHVBPB-LLVKDONJSA-N 1 0 256.327 0.250 20 10 CCCDRO COCCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000749299118 582002455 /nfs/dbraw/zinc/00/24/55/582002455.db2.gz SQPUXVVKNDUCIM-UHFFFAOYSA-N 1 0 266.341 0.977 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)c1 ZINC000775370757 582021214 /nfs/dbraw/zinc/02/12/14/582021214.db2.gz QHDQKNGNDLFSJL-YUMQZZPRSA-N 1 0 281.312 0.635 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)[NH3+])C2)cc1 ZINC000851665444 617267862 /nfs/dbraw/zinc/26/78/62/617267862.db2.gz BDRMPQHYRXCSFA-NWDGAFQWSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1ccc(N2CC[C@H](CNC(=O)CC[NH3+])C2)cc1 ZINC000831748512 617267983 /nfs/dbraw/zinc/26/79/83/617267983.db2.gz DVPWLFLYPMOYPX-GFCCVEGCSA-N 1 0 277.368 0.987 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)COCC[NH3+])c1 ZINC000828667956 617273990 /nfs/dbraw/zinc/27/39/90/617273990.db2.gz XDWHCXZTJGDWDF-SECBINFHSA-N 1 0 268.313 0.553 20 10 CCCDRO COc1ccc(O)c(CN2CCN(C)C[C@H]2C[NH3+])c1 ZINC000122468067 617272722 /nfs/dbraw/zinc/27/27/22/617272722.db2.gz XNQYFZCNNCAPMX-GFCCVEGCSA-N 1 0 265.357 0.476 20 10 CCCDRO CC(=O)NCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000842635746 613735821 /nfs/dbraw/zinc/73/58/21/613735821.db2.gz QQOXIMKEIZEWGK-CYBMUJFWSA-N 1 0 280.324 0.386 20 10 CCCDRO CC(=O)c1cc(F)cc(CN2CCO[C@H](C[NH3+])C2)c1O ZINC000843367988 614249199 /nfs/dbraw/zinc/24/91/99/614249199.db2.gz MSPOKZWPALAKGK-GFCCVEGCSA-N 1 0 282.315 0.893 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000824893528 615512232 /nfs/dbraw/zinc/51/22/32/615512232.db2.gz USEAZASZWPJNIX-TXEJJXNPSA-N 1 0 290.319 0.495 20 10 CCCDRO CC[S@@](=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134735219 616005977 /nfs/dbraw/zinc/00/59/77/616005977.db2.gz GEEYZXPDOZHBGH-SFHVURJKSA-N 1 0 271.338 0.979 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)[C@@H](CO)C2)cc1 ZINC000931400671 616013728 /nfs/dbraw/zinc/01/37/28/616013728.db2.gz AWQNONXORNGBSH-OAHLLOKOSA-N 1 0 263.385 0.861 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852855686 616014258 /nfs/dbraw/zinc/01/42/58/616014258.db2.gz MSEFQQCNIYENRP-GFCCVEGCSA-N 1 0 276.340 0.472 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn(C)c2)cc1 ZINC000832292269 616019513 /nfs/dbraw/zinc/01/95/13/616019513.db2.gz DSFOQUCETRKZIP-AWEZNQCLSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnn(C)c2)cc1 ZINC000832292270 616019807 /nfs/dbraw/zinc/01/98/07/616019807.db2.gz DSFOQUCETRKZIP-CQSZACIVSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(CC[NH2+]Cc1cc(F)ccc1O)CCOCCO ZINC000895666205 616096313 /nfs/dbraw/zinc/09/63/13/616096313.db2.gz WQHRAMTZGMICAH-UHFFFAOYSA-N 1 0 286.347 0.562 20 10 CCCDRO CN(CC[N@H+](C)CCO)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000912607098 616099550 /nfs/dbraw/zinc/09/95/50/616099550.db2.gz BHBSZQSCZJPENO-XQRVVYSFSA-N 1 0 294.351 0.494 20 10 CCCDRO CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2C1=O ZINC000877720037 616158805 /nfs/dbraw/zinc/15/88/05/616158805.db2.gz IWAWYCVXMWZVDP-PHIMTYICSA-N 1 0 260.293 0.439 20 10 CCCDRO CN1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042880432 616415821 /nfs/dbraw/zinc/41/58/21/616415821.db2.gz CTYZZDCVHRFLCC-JTQLQIEISA-N 1 0 250.298 0.915 20 10 CCCDRO CNC(=O)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284877 616559024 /nfs/dbraw/zinc/55/90/24/616559024.db2.gz NRPVCMSDRNPLQB-GFCCVEGCSA-N 1 0 278.356 0.005 20 10 CCCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000839191656 616821252 /nfs/dbraw/zinc/82/12/52/616821252.db2.gz CEWOXMAQTBKPGL-TVQRCGJNSA-N 1 0 267.281 0.624 20 10 CCCDRO CNC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877192664 616888724 /nfs/dbraw/zinc/88/87/24/616888724.db2.gz QZDZHQTXJLEVCV-CYBMUJFWSA-N 1 0 264.325 0.647 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000866497892 616918590 /nfs/dbraw/zinc/91/85/90/616918590.db2.gz NNLQYQGJYJXRER-MRCXROJRSA-N 1 0 295.335 0.979 20 10 CCCDRO C[NH2+]CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841937278 616961377 /nfs/dbraw/zinc/96/13/77/616961377.db2.gz WONQSQJYFBFGKX-SECBINFHSA-N 1 0 267.329 0.980 20 10 CCCDRO C[NH2+]CCOCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000892283564 616966568 /nfs/dbraw/zinc/96/65/68/616966568.db2.gz RWOCEGFSESUGBC-UHFFFAOYSA-N 1 0 279.340 0.653 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876813284 617035078 /nfs/dbraw/zinc/03/50/78/617035078.db2.gz AZHOJSNDKOPBJW-NSHDSACASA-N 1 0 284.381 0.824 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)c1ccccc1O ZINC000870988418 617082804 /nfs/dbraw/zinc/08/28/04/617082804.db2.gz OWGKKSKQPCSHHE-UWVGGRQHSA-N 1 0 252.314 0.933 20 10 CCCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(N)cc2)C1 ZINC000876528004 617112330 /nfs/dbraw/zinc/11/23/30/617112330.db2.gz ODPUFMUXBPPSME-HIFRSBDPSA-N 1 0 277.368 0.695 20 10 CCCDRO COc1c(O)c(CN2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843065154 617149131 /nfs/dbraw/zinc/14/91/31/617149131.db2.gz JTLDPRADALDZHN-SNVBAGLBSA-N 1 0 297.311 0.469 20 10 CCCDRO OCCOCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020199159 625569304 /nfs/dbraw/zinc/56/93/04/625569304.db2.gz UFGKHRSRNMTFRX-UHFFFAOYSA-N 1 0 280.368 0.622 20 10 CCCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)cc(OC)n1 ZINC001022368582 624939070 /nfs/dbraw/zinc/93/90/70/624939070.db2.gz VWNBCDIYXGVAGD-PHIMTYICSA-N 1 0 297.330 0.919 20 10 CCCDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1O ZINC000895772139 632151412 /nfs/dbraw/zinc/15/14/12/632151412.db2.gz CLGOLLFBCWPJLR-ZDUSSCGKSA-N 1 0 276.336 0.777 20 10 CCCDRO O=C(NCc1ccccc1O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896015968 632188281 /nfs/dbraw/zinc/18/82/81/632188281.db2.gz UUHNZMHDVCWVPC-ZDUSSCGKSA-N 1 0 276.336 0.729 20 10 CCCDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000897063384 632387445 /nfs/dbraw/zinc/38/74/45/632387445.db2.gz USPBBFMDVFBFRP-SECBINFHSA-N 1 0 288.344 0.642 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000897277071 632454802 /nfs/dbraw/zinc/45/48/02/632454802.db2.gz DKJMGUBRRIYSJR-LLVKDONJSA-N 1 0 297.380 0.035 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000897285411 632462517 /nfs/dbraw/zinc/46/25/17/632462517.db2.gz XIGZBLUDAJUPRC-GFCCVEGCSA-N 1 0 297.380 0.035 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929184143 633455623 /nfs/dbraw/zinc/45/56/23/633455623.db2.gz CFLBCJYQDBAVJN-CJNGLKHVSA-N 1 0 294.395 0.697 20 10 CCCDRO C[C@]1(C(=O)NCCc2ccc(N)cc2)C[C@H](O)C[NH2+]1 ZINC000911783245 636377980 /nfs/dbraw/zinc/37/79/80/636377980.db2.gz SBMYJDXUILOJJX-GXTWGEPZSA-N 1 0 263.341 0.040 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000071269841 638547526 /nfs/dbraw/zinc/54/75/26/638547526.db2.gz XCJSNOQOZSVEBV-OAHLLOKOSA-N 1 0 280.368 0.620 20 10 CCCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922822299 639802389 /nfs/dbraw/zinc/80/23/89/639802389.db2.gz FPNPPEKCFXJCKB-ZDUSSCGKSA-N 1 0 299.392 0.507 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000839165392 640303291 /nfs/dbraw/zinc/30/32/91/640303291.db2.gz IXGNKQIQSKVQMS-UFBFGSQYSA-N 1 0 257.717 0.831 20 10 CCCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000839181542 640305470 /nfs/dbraw/zinc/30/54/70/640305470.db2.gz YRZPZQCNKLYPKV-SECBINFHSA-N 1 0 282.731 0.788 20 10 CCCDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000829918184 642210720 /nfs/dbraw/zinc/21/07/20/642210720.db2.gz KOHBZOUAIQZSLQ-CYBMUJFWSA-N 1 0 290.411 0.563 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000840918569 642797080 /nfs/dbraw/zinc/79/70/80/642797080.db2.gz WDUUGMJJXCBSEM-OKILXGFUSA-N 1 0 250.342 0.598 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000840938018 642799292 /nfs/dbraw/zinc/79/92/92/642799292.db2.gz CCLIPRYGVYQKRN-AWEZNQCLSA-N 1 0 297.424 0.924 20 10 CCCDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000844171816 643169792 /nfs/dbraw/zinc/16/97/92/643169792.db2.gz YPVMPZCCKLDXMW-OKILXGFUSA-N 1 0 289.379 0.877 20 10 CCCDRO OCCO[C@]1(C[NH2+]Cc2ccccc2O)CCOC1 ZINC000850358119 643798409 /nfs/dbraw/zinc/79/84/09/643798409.db2.gz HIPQBBJKUSEJQP-AWEZNQCLSA-N 1 0 267.325 0.650 20 10 CCCDRO Nc1ccc(-n2cc(CCN3CCC([NH3+])CC3)nn2)cc1 ZINC000864619206 645251203 /nfs/dbraw/zinc/25/12/03/645251203.db2.gz BEOVSHOKNLPUDS-UHFFFAOYSA-N 1 0 286.383 0.815 20 10 CCCDRO CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001020352420 651062463 /nfs/dbraw/zinc/06/24/63/651062463.db2.gz NTKPOOHVIKTRTI-XYPYZODXSA-N 1 0 279.340 0.969 20 10 CCCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000876522260 646618844 /nfs/dbraw/zinc/61/88/44/646618844.db2.gz MEPXZCRBCIBFJX-SNVBAGLBSA-N 1 0 255.339 0.977 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC000877592044 646826488 /nfs/dbraw/zinc/82/64/88/646826488.db2.gz KOYGEBORSJQYDO-QWHCGFSZSA-N 1 0 251.326 0.876 20 10 CCCDRO C[C@@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccccc1O ZINC000931555253 649005146 /nfs/dbraw/zinc/00/51/46/649005146.db2.gz WBFQRLWCUIINFK-XUJVJEKNSA-N 1 0 281.352 0.945 20 10 CCCDRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000189711217 649385582 /nfs/dbraw/zinc/38/55/82/649385582.db2.gz ZQEZNFCPZBIJLR-UHFFFAOYSA-N 1 0 296.392 0.603 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC000089755954 649663184 /nfs/dbraw/zinc/66/31/84/649663184.db2.gz WWYFRDWDGPJELN-LDYMZIIASA-N 1 0 278.308 0.857 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](O)C[NH3+] ZINC000705614788 790591509 /nfs/dbraw/zinc/59/15/09/790591509.db2.gz GMWAZPZCSSZLRC-AWEZNQCLSA-N 1 0 279.384 0.811 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)cc1O ZINC001231634234 805823237 /nfs/dbraw/zinc/82/32/37/805823237.db2.gz JRJWWWLLMTUJHW-CABCVRRESA-N 1 0 297.351 0.672 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001231848143 805862166 /nfs/dbraw/zinc/86/21/66/805862166.db2.gz GXCMQWAHLHZSDN-DZGCQCFKSA-N 1 0 294.395 0.936 20 10 CCCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001233332797 806042052 /nfs/dbraw/zinc/04/20/52/806042052.db2.gz XVTYJEGEELROLP-RDDDGLTNSA-N 1 0 259.252 0.455 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482713 806059647 /nfs/dbraw/zinc/05/96/47/806059647.db2.gz ZLRRZBFPSOTUTH-MRVPVSSYSA-N 1 0 266.297 0.501 20 10 CCCDRO CN(C)C(=O)N1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482479 806060149 /nfs/dbraw/zinc/06/01/49/806060149.db2.gz OZCAKBIUJFOCBO-UHFFFAOYSA-N 1 0 295.339 0.603 20 10 CCCDRO CCOc1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234987150 806329856 /nfs/dbraw/zinc/32/98/56/806329856.db2.gz DLIHYIHALYXPPJ-MRXNPFEDSA-N 1 0 291.395 0.928 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC001236341523 806571452 /nfs/dbraw/zinc/57/14/52/806571452.db2.gz LJFIVSKMALYLNC-KBPBESRZSA-N 1 0 277.368 0.685 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC001236341524 806571867 /nfs/dbraw/zinc/57/18/67/806571867.db2.gz LJFIVSKMALYLNC-KGLIPLIRSA-N 1 0 277.368 0.685 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237669843 806708281 /nfs/dbraw/zinc/70/82/81/806708281.db2.gz PGOFTMHYKICYMZ-ZWNOBZJWSA-N 1 0 297.351 0.585 20 10 CCCDRO Nc1ccc(CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)cc1 ZINC001122444836 799236200 /nfs/dbraw/zinc/23/62/00/799236200.db2.gz IJIBFIAMIFPVMD-UHFFFAOYSA-N 1 0 288.351 0.784 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140745540 799938203 /nfs/dbraw/zinc/93/82/03/799938203.db2.gz KFMCHENBEUFZGU-UHFFFAOYSA-N 1 0 294.351 0.697 20 10 CCCDRO Oc1ccc(O)c(C[N@H+]2CCc3nncn3CC2)c1 ZINC001141156737 799984389 /nfs/dbraw/zinc/98/43/89/799984389.db2.gz SNTGPZWCBGMAQD-UHFFFAOYSA-N 1 0 260.297 0.748 20 10 CCCDRO CN1CCOc2cc(CN3CCO[C@@H](C(N)=O)C3)ccc21 ZINC001141143817 799985649 /nfs/dbraw/zinc/98/56/49/799985649.db2.gz LHBQDJXBHIOEBT-CQSZACIVSA-N 1 0 291.351 0.201 20 10 CCCDRO Nc1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001160650422 801990528 /nfs/dbraw/zinc/99/05/28/801990528.db2.gz VVBNNXBKXMWTNI-NWDGAFQWSA-N 1 0 251.305 0.709 20 10 CCCDRO COc1ccc(N(CC[NH3+])CCO)c(C)c1OC ZINC001163836931 802622506 /nfs/dbraw/zinc/62/25/06/802622506.db2.gz MMOJGXMMNKPLJK-UHFFFAOYSA-N 1 0 254.330 0.770 20 10 CCCDRO COCc1cc(OC)ccc1N(CC[NH3+])CCO ZINC001163836274 802622705 /nfs/dbraw/zinc/62/27/05/802622705.db2.gz RADIBLYCGAYHGP-UHFFFAOYSA-N 1 0 254.330 0.599 20 10 CCCDRO CCOC(=O)CN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272261 803075436 /nfs/dbraw/zinc/07/54/36/803075436.db2.gz LDFIBZVZQHCTKB-UHFFFAOYSA-N 1 0 294.351 0.779 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCCO1 ZINC001204277646 803076232 /nfs/dbraw/zinc/07/62/32/803076232.db2.gz HZBUUEQUFLZMEK-ZDUSSCGKSA-N 1 0 281.308 0.862 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001205357828 803136682 /nfs/dbraw/zinc/13/66/82/803136682.db2.gz JOJPLAULHWQOHO-HUUCEWRRSA-N 1 0 295.358 0.166 20 10 CCCDRO C[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C[C@@H]1[NH3+] ZINC001205880684 803183243 /nfs/dbraw/zinc/18/32/43/803183243.db2.gz OTULCXTXZKQELQ-SCZZXKLOSA-N 1 0 252.314 0.973 20 10 CCCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516739 803369366 /nfs/dbraw/zinc/36/93/66/803369366.db2.gz OOIOMCKOPSSDOS-AOOOYVTPSA-N 1 0 250.298 0.692 20 10 CCCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(OC)c1O ZINC000088658168 803484499 /nfs/dbraw/zinc/48/44/99/803484499.db2.gz MPLKVIQNJWIXFQ-LBPRGKRZSA-N 1 0 294.351 0.738 20 10 CCCDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000400148372 803764583 /nfs/dbraw/zinc/76/45/83/803764583.db2.gz AIQBWJKMWBLQPE-CYBMUJFWSA-N 1 0 296.392 0.745 20 10 CCCDRO C[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C[NH2+]1 ZINC001219590210 804363855 /nfs/dbraw/zinc/36/38/55/804363855.db2.gz BGRQBOGSRRFOEL-CBAPKCEASA-N 1 0 266.297 0.674 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001220321601 804573570 /nfs/dbraw/zinc/57/35/70/804573570.db2.gz WBYLBVXNAUKKBJ-HOCLYGCPSA-N 1 0 289.379 0.839 20 10 CCCDRO O=C(CNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)c1ccc(O)c(O)c1 ZINC001220489785 804613713 /nfs/dbraw/zinc/61/37/13/804613713.db2.gz HINNLXQEBBBSMS-UWVGGRQHSA-N 1 0 296.298 0.487 20 10 CCCDRO Cc1cc(C)c(CNC(=O)C[C@H](O)C[NH3+])c(O)c1 ZINC001220825336 804674611 /nfs/dbraw/zinc/67/46/11/804674611.db2.gz CQIWMMYVUYRXJG-JTQLQIEISA-N 1 0 252.314 0.335 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CN1 ZINC001246865845 807413451 /nfs/dbraw/zinc/41/34/51/807413451.db2.gz SXLRVZJAOLWPET-NEPJUHHUSA-N 1 0 264.325 0.728 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001249172948 807545987 /nfs/dbraw/zinc/54/59/87/807545987.db2.gz OXIRTDKEKMBCBG-UHFFFAOYSA-N 1 0 278.352 0.854 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1O ZINC001251036293 807651070 /nfs/dbraw/zinc/65/10/70/807651070.db2.gz FGXSCYCHPGGTHY-QWHCGFSZSA-N 1 0 280.368 0.736 20 10 CCCDRO Cc1cc(C)c(C[NH2+]C[C@H](O)CN2CCOCC2)c(O)c1 ZINC001251044642 807654660 /nfs/dbraw/zinc/65/46/60/807654660.db2.gz AWXZPOTUKBYAGL-AWEZNQCLSA-N 1 0 294.395 0.792 20 10 CCCDRO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253438526 808066162 /nfs/dbraw/zinc/06/61/62/808066162.db2.gz UWDQBFJXMPKKAB-FZMZJTMJSA-N 1 0 299.367 0.897 20 10 CCCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253808538 808149125 /nfs/dbraw/zinc/14/91/25/808149125.db2.gz DNHGIBFFHPKITD-NSHDSACASA-N 1 0 269.297 0.502 20 10 CCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccc(O)c(O)c1 ZINC001256326385 808496358 /nfs/dbraw/zinc/49/63/58/808496358.db2.gz MLQNPQSJMNEWSB-LLVKDONJSA-N 1 0 294.351 0.825 20 10 CCCDRO Nc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC001263304298 809505267 /nfs/dbraw/zinc/50/52/67/809505267.db2.gz YMVOCMCGBGLQMC-UHFFFAOYSA-N 1 0 263.341 0.654 20 10 CCCDRO C[NH+]1CC2(C1)CCCN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001270068972 813613712 /nfs/dbraw/zinc/61/37/12/813613712.db2.gz GTWYWVSLORXCDB-UHFFFAOYSA-N 1 0 292.335 0.971 20 10 CCCDRO Oc1ccc(F)c(F)c1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235062901 816800804 /nfs/dbraw/zinc/80/08/04/816800804.db2.gz QWRFZGNPSRDLHK-AWEZNQCLSA-N 1 0 283.322 0.808 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(CO)OC)c1 ZINC000702514106 819136044 /nfs/dbraw/zinc/13/60/44/819136044.db2.gz KXHUROZERPKEMH-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000703176917 819237088 /nfs/dbraw/zinc/23/70/88/819237088.db2.gz DZNOGHDJGNWQCJ-UONOGXRCSA-N 1 0 277.368 0.827 20 10 CCCDRO CN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285770 821548369 /nfs/dbraw/zinc/54/83/69/821548369.db2.gz VHQQOWZBKOYILC-OAHLLOKOSA-N 1 0 294.326 0.964 20 10 CCCDRO COc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001203620733 844437627 /nfs/dbraw/zinc/43/76/27/844437627.db2.gz HJMUNWDPFAHFET-NSHDSACASA-N 1 0 253.298 0.594 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)[C@H](O)CCO2 ZINC001170995438 839679571 /nfs/dbraw/zinc/67/95/71/839679571.db2.gz KYMFWXMMOMOTIL-CYBMUJFWSA-N 1 0 294.351 0.831 20 10 CCCDRO CO[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1F ZINC001144500148 840066907 /nfs/dbraw/zinc/06/69/07/840066907.db2.gz PZIFDOXFRTXHAR-CABZTGNLSA-N 1 0 257.261 0.972 20 10 CCCDRO COC(=O)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503844 840068940 /nfs/dbraw/zinc/06/89/40/840068940.db2.gz FQRBDAWHMIPYTR-UHFFFAOYSA-N 1 0 253.254 0.408 20 10 CCCDRO COC(=O)C[C@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144515070 840074507 /nfs/dbraw/zinc/07/45/07/840074507.db2.gz DGRXIXLISKBIAY-VIFPVBQESA-N 1 0 297.307 0.567 20 10 CCCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515579 840075601 /nfs/dbraw/zinc/07/56/01/840075601.db2.gz QZWMOMMRAUMHGA-VIFPVBQESA-N 1 0 266.297 0.514 20 10 CCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC([NH+]2CCCC2)C1 ZINC001146803732 840382205 /nfs/dbraw/zinc/38/22/05/840382205.db2.gz SMKBZOYCHFAKQY-UHFFFAOYSA-N 1 0 276.336 0.947 20 10 CCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC001148307588 840778108 /nfs/dbraw/zinc/77/81/08/840778108.db2.gz MITJZWNHIDVVIA-LBPRGKRZSA-N 1 0 276.336 0.947 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@H]1O ZINC001205369730 844596145 /nfs/dbraw/zinc/59/61/45/844596145.db2.gz FNOYGQUDALFEJQ-PSASIEDQSA-N 1 0 292.257 0.795 20 10 CCCDRO O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[NH+]2CCC1CC2 ZINC001176467274 842369897 /nfs/dbraw/zinc/36/98/97/842369897.db2.gz OMPOEOJXNWORED-LBPRGKRZSA-N 1 0 276.336 0.851 20 10 CCCDRO C[C@@H](C(=O)NCCc1cc(O)c(O)cc1O)[NH+](C)C ZINC001180865030 843331672 /nfs/dbraw/zinc/33/16/72/843331672.db2.gz QNLBHUAXZGDZNG-QMMMGPOBSA-N 1 0 268.313 0.412 20 10 CCCDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203880276 846931768 /nfs/dbraw/zinc/93/17/68/846931768.db2.gz NFECPNFUWBMHBJ-UHFFFAOYSA-N 1 0 291.307 0.272 20 10 CCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(F)ccc1O ZINC001119977884 856945615 /nfs/dbraw/zinc/94/56/15/856945615.db2.gz UPCDQLQQDXKBRU-CQSZACIVSA-N 1 0 284.331 0.314 20 10 CCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C(N)=O)cc1C ZINC001481273482 892476156 /nfs/dbraw/zinc/47/61/56/892476156.db2.gz UWDDYSYEPICXPJ-UHFFFAOYSA-N 1 0 279.340 0.037 20 10 CCCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001326276910 913863110 /nfs/dbraw/zinc/86/31/10/913863110.db2.gz IZSQSSYGGIVLKU-GHMZBOCLSA-N 1 0 293.367 0.593 20 10 CCCDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252695810 900774491 /nfs/dbraw/zinc/77/44/91/900774491.db2.gz FXTXVZCNLLJYLL-LLVKDONJSA-N 1 0 255.314 0.973 20 10 CCCDRO Cc1ccc(C[NH2+]CCCc2nnnn2C)c(O)c1 ZINC001333826512 919192326 /nfs/dbraw/zinc/19/23/26/919192326.db2.gz NTNFXTDNKURGAS-UHFFFAOYSA-N 1 0 261.329 0.947 20 10 CCCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](F)C(=O)[O-])cc2)CC1 ZINC001334089072 919358593 /nfs/dbraw/zinc/35/85/93/919358593.db2.gz NQRIWBJOZAKBKM-AWEZNQCLSA-N 1 0 295.358 0.951 20 10 CCCDRO Nc1ccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC001336290539 920705293 /nfs/dbraw/zinc/70/52/93/920705293.db2.gz NWNUUDRGOHGYCI-UHFFFAOYSA-N 1 0 276.340 0.153 20 10 CCCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])C(C)(C)O)ccc21 ZINC001340060600 921938270 /nfs/dbraw/zinc/93/82/70/921938270.db2.gz DUMGUMSXNWMCCP-CQSZACIVSA-N 1 0 291.395 0.783 20 10 CCCDRO Nc1ccc(CC(=O)N2CCC(OC3C[NH2+]C3)CC2)cc1 ZINC001341707541 922637402 /nfs/dbraw/zinc/63/74/02/922637402.db2.gz GZRCMVRUOGAVMA-UHFFFAOYSA-N 1 0 289.379 0.791 20 10 CCCDRO O=C(C[NH+]1CCC(CO)CC1)NCc1ccc(O)c(O)c1 ZINC001346919381 924332801 /nfs/dbraw/zinc/33/28/01/924332801.db2.gz CCPMSYHYEYQCED-UHFFFAOYSA-N 1 0 294.351 0.418 20 10 CCCDRO Nc1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001357727039 926590556 /nfs/dbraw/zinc/59/05/56/926590556.db2.gz SNMCHYKWQFYJQD-YNEHKIRRSA-N 1 0 260.341 0.961 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccccc1O ZINC000187569771 351546610 /nfs/dbraw/zinc/54/66/10/351546610.db2.gz NDMYXSDPBAHBRA-GHMZBOCLSA-N 1 0 251.282 0.500 20 10 CCCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000187669825 351552807 /nfs/dbraw/zinc/55/28/07/351552807.db2.gz WBGYHJFGDCNBRZ-QWRGUYRKSA-N 1 0 287.743 0.982 20 10 CCCDRO C[NH+](C)C/C=C/C(=O)NCCc1ccc(O)c(O)c1 ZINC000271237803 353032563 /nfs/dbraw/zinc/03/25/63/353032563.db2.gz NVKLTDXFOGTBBR-ONEGZZNKSA-N 1 0 264.325 0.874 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@H]2COCCN2)c1O ZINC000530180459 358372891 /nfs/dbraw/zinc/37/28/91/358372891.db2.gz ADSNPNQQTKJPBF-LLVKDONJSA-N 1 0 252.314 0.479 20 10 CCCDRO NC(=O)[C@H]1Cc2ccccc2N(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637979460 374523954 /nfs/dbraw/zinc/52/39/54/374523954.db2.gz SICAYJNLHQSGSB-QWHCGFSZSA-N 1 0 285.347 0.725 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000363882476 262002870 /nfs/dbraw/zinc/00/28/70/262002870.db2.gz AYJYCOSJDNLHHJ-CYBMUJFWSA-N 1 0 278.352 0.917 20 10 CCCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000187662655 329360298 /nfs/dbraw/zinc/36/02/98/329360298.db2.gz QAMMVJZHKOBJPU-HOTGVXAUSA-N 1 0 292.379 0.451 20 10 CCCDRO COC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000227706695 333287381 /nfs/dbraw/zinc/28/73/81/333287381.db2.gz AFYQBOHMOJEHHR-SNVBAGLBSA-N 1 0 269.297 0.872 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000277482107 520902663 /nfs/dbraw/zinc/90/26/63/520902663.db2.gz JBGIDHOXBLLNBE-LSDHHAIUSA-N 1 0 291.395 0.872 20 10 CCCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000279433771 523875104 /nfs/dbraw/zinc/87/51/04/523875104.db2.gz ZKSINZHXLDMNPI-JTQLQIEISA-N 1 0 280.324 0.548 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000081901512 524752224 /nfs/dbraw/zinc/75/22/24/524752224.db2.gz ZATHJCCIBOJBGE-VIFPVBQESA-N 1 0 273.354 0.924 20 10 CCCDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N(C)C)cc1 ZINC000130621778 525349042 /nfs/dbraw/zinc/34/90/42/525349042.db2.gz FPKJWPCNLOSAIG-NSHDSACASA-N 1 0 290.367 0.955 20 10 CCCDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000289361044 525746243 /nfs/dbraw/zinc/74/62/43/525746243.db2.gz AHKOAYCPEMPEAZ-LBPRGKRZSA-N 1 0 252.358 0.928 20 10 CCCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000235396100 525822347 /nfs/dbraw/zinc/82/23/47/525822347.db2.gz GRPWRFQLHJWXIC-CQSZACIVSA-N 1 0 278.308 0.818 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CC(=O)NC1CC1 ZINC000725845084 581150020 /nfs/dbraw/zinc/15/00/20/581150020.db2.gz JNYOERVUAPQUEX-UHFFFAOYSA-N 1 0 250.298 0.769 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785985688 581426253 /nfs/dbraw/zinc/42/62/53/581426253.db2.gz QDHIYMIGPXQJEM-CYBMUJFWSA-N 1 0 283.397 0.615 20 10 CCCDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)N1CC[NH+](C)CC1 ZINC000740926561 581723665 /nfs/dbraw/zinc/72/36/65/581723665.db2.gz DGZHFLBQSUFEOI-JTQLQIEISA-N 1 0 283.397 0.819 20 10 CCCDRO Oc1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@@H]3C1)OCO2 ZINC000770395120 581741781 /nfs/dbraw/zinc/74/17/81/581741781.db2.gz PSYSKDOLJJEFPZ-GHMZBOCLSA-N 1 0 262.309 0.772 20 10 CCCDRO OCC[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000770509674 581749071 /nfs/dbraw/zinc/74/90/71/581749071.db2.gz QOXVRMNEKLOTKH-UHFFFAOYSA-N 1 0 280.368 0.519 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000775744462 582035909 /nfs/dbraw/zinc/03/59/09/582035909.db2.gz MDUQFIOWSXZYGB-LLVKDONJSA-N 1 0 250.298 0.721 20 10 CCCDRO Cn1cncc1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000776355591 582070380 /nfs/dbraw/zinc/07/03/80/582070380.db2.gz OUOOENDGUHFWHE-UHFFFAOYSA-N 1 0 275.308 0.733 20 10 CCCDRO COCC[NH+](CCOC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441470 582106604 /nfs/dbraw/zinc/10/66/04/582106604.db2.gz LUMZUWXLZOGWBT-AWEZNQCLSA-N 1 0 297.351 0.913 20 10 CCCDRO C[C@@H](NC(=O)N(CC[NH3+])CCO)c1ccc(N(C)C)cc1 ZINC000841880941 617195474 /nfs/dbraw/zinc/19/54/74/617195474.db2.gz KPRPVKZDHRZYFN-GFCCVEGCSA-N 1 0 294.399 0.776 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)CCC(N)=O)cc1OC ZINC000809713273 617207361 /nfs/dbraw/zinc/20/73/61/617207361.db2.gz GGFMUQPROSXVMP-UHFFFAOYSA-N 1 0 268.313 0.717 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c(O)c1OC ZINC000895433465 617252301 /nfs/dbraw/zinc/25/23/01/617252301.db2.gz NDVKNVXINWFQKH-ABAIWWIYSA-N 1 0 297.351 0.727 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000841937360 617254613 /nfs/dbraw/zinc/25/46/13/617254613.db2.gz QFYKESQASDZOAC-LLVKDONJSA-N 1 0 279.340 0.952 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c(O)c1 ZINC000852889049 617256485 /nfs/dbraw/zinc/25/64/85/617256485.db2.gz ATDTVZTWWNNRCE-AAEUAGOBSA-N 1 0 280.324 0.381 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c(O)c1OC ZINC000895587912 617259616 /nfs/dbraw/zinc/25/96/16/617259616.db2.gz AQDOQKIVGDDRJS-MGCOHNPYSA-N 1 0 280.324 0.763 20 10 CCCDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)c(O)c1OC ZINC000895110001 617259618 /nfs/dbraw/zinc/25/96/18/617259618.db2.gz XLYSENNVDIZHLB-ZYHUDNBSSA-N 1 0 283.324 0.913 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[NH3+])C2)cc1 ZINC000851662406 617267911 /nfs/dbraw/zinc/26/79/11/617267911.db2.gz WQLLSQUZEFCOSZ-LLVKDONJSA-N 1 0 278.356 0.532 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[NH2+]3)C2)cc1 ZINC000851639746 617268218 /nfs/dbraw/zinc/26/82/18/617268218.db2.gz KZWFGPWPZXMFRD-SMDDNHRTSA-N 1 0 275.352 0.752 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC000855229625 617268243 /nfs/dbraw/zinc/26/82/43/617268243.db2.gz KSRUFKQPCOSGIG-LBPRGKRZSA-N 1 0 277.368 0.952 20 10 CCCDRO COc1ccc(O)c([C@H](C)NS(=O)(=O)C2C[NH2+]C2)c1 ZINC000923615152 617274334 /nfs/dbraw/zinc/27/43/34/617274334.db2.gz JTPBTLALJUCJPM-QMMMGPOBSA-N 1 0 286.353 0.353 20 10 CCCDRO COc1cccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1O ZINC000843421584 617296835 /nfs/dbraw/zinc/29/68/35/617296835.db2.gz IRQGABISHQXNPU-CYBMUJFWSA-N 1 0 278.352 0.652 20 10 CCCDRO CC(C)(C[NH2+]Cc1ccccc1O)CS(N)(=O)=O ZINC000865813274 614111779 /nfs/dbraw/zinc/11/17/79/614111779.db2.gz MMOPVFLIRDUSMT-UHFFFAOYSA-N 1 0 272.370 0.797 20 10 CCCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000815099938 614920846 /nfs/dbraw/zinc/92/08/46/614920846.db2.gz IXGQAHKDDYSMDZ-HNNXBMFYSA-N 1 0 277.368 0.565 20 10 CCCDRO CC[N@H+](CCO)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841960667 615053114 /nfs/dbraw/zinc/05/31/14/615053114.db2.gz UYTGIRAXCBXRIE-UHFFFAOYSA-N 1 0 294.399 0.425 20 10 CCCDRO CCNS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785029 615107296 /nfs/dbraw/zinc/10/72/96/615107296.db2.gz NKUBPFWYBJJFTL-LBPRGKRZSA-N 1 0 286.401 0.196 20 10 CCCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2ccccc2O)[C@@H](CO)C1 ZINC000898359232 615238844 /nfs/dbraw/zinc/23/88/44/615238844.db2.gz NNJDPQOWZIGBFB-OLZOCXBDSA-N 1 0 294.351 0.931 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC000824626330 615510376 /nfs/dbraw/zinc/51/03/76/615510376.db2.gz WWKKHCLZPYVGDB-LBPRGKRZSA-N 1 0 267.325 0.984 20 10 CCCDRO CCOc1ccc(CN2CCN(C)C[C@@H]2C[NH3+])c(O)c1 ZINC000843120821 615510398 /nfs/dbraw/zinc/51/03/98/615510398.db2.gz VZJUZNMMWPIEBE-ZDUSSCGKSA-N 1 0 279.384 0.866 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC000824626329 615510411 /nfs/dbraw/zinc/51/04/11/615510411.db2.gz WWKKHCLZPYVGDB-GFCCVEGCSA-N 1 0 267.325 0.984 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CNCCO2)c1 ZINC000841098513 615512011 /nfs/dbraw/zinc/51/20/11/615512011.db2.gz HGYBXOKGRCXZMF-CYBMUJFWSA-N 1 0 266.341 0.869 20 10 CCCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(OC)cc1O ZINC000842008228 615523408 /nfs/dbraw/zinc/52/34/08/615523408.db2.gz SNTZPZZXTHLVAI-SNVBAGLBSA-N 1 0 267.329 0.937 20 10 CCCDRO CCc1cccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1O ZINC000848917206 615683352 /nfs/dbraw/zinc/68/33/52/615683352.db2.gz PTTYFDXAOYGICR-CYBMUJFWSA-N 1 0 276.340 0.697 20 10 CCCDRO CCc1cccc(C[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000896456378 615683378 /nfs/dbraw/zinc/68/33/78/615683378.db2.gz CRBASVSHAKMPHR-INIZCTEOSA-N 1 0 294.395 0.737 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N(CC[NH3+])CCO)cc1F ZINC000841760981 616014981 /nfs/dbraw/zinc/01/49/81/616014981.db2.gz NETSKPCYPHXKKY-UHFFFAOYSA-N 1 0 298.362 0.354 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(N)CC2(F)F)cc1 ZINC000870932955 616019756 /nfs/dbraw/zinc/01/97/56/616019756.db2.gz MSWDUOIUMJZJRR-DGCLKSJQSA-N 1 0 298.337 0.605 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726879 616343577 /nfs/dbraw/zinc/34/35/77/616343577.db2.gz YTPDSDULWHXXFI-XHDPSFHLSA-N 1 0 276.336 0.690 20 10 CCCDRO CNC(=O)C1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000839143128 616555775 /nfs/dbraw/zinc/55/57/75/616555775.db2.gz MWBMFUREFLODKW-UHFFFAOYSA-N 1 0 250.298 0.579 20 10 CCCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843435185 616724320 /nfs/dbraw/zinc/72/43/20/616724320.db2.gz QWQAOWQTMIGCHE-JQWIXIFHSA-N 1 0 283.299 0.887 20 10 CCCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877074159 616781255 /nfs/dbraw/zinc/78/12/55/616781255.db2.gz ALZHSXMYBILWPQ-GXTWGEPZSA-N 1 0 263.341 0.999 20 10 CCCDRO CNC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877192665 616830426 /nfs/dbraw/zinc/83/04/26/616830426.db2.gz QZDZHQTXJLEVCV-ZDUSSCGKSA-N 1 0 264.325 0.647 20 10 CCCDRO CNC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000817414745 616886469 /nfs/dbraw/zinc/88/64/69/616886469.db2.gz JOBNLNZZRLHXMN-JTQLQIEISA-N 1 0 264.325 0.969 20 10 CCCDRO C[NH2+]CCOCCNC(=O)Cc1ccc(N)cc1 ZINC000877024354 616966015 /nfs/dbraw/zinc/96/60/15/616966015.db2.gz BAMCNYPUSRQRKG-UHFFFAOYSA-N 1 0 251.330 0.164 20 10 CCCDRO COC[C@@]1(C(=O)N(C)Cc2ccccc2O)C[NH2+]CCO1 ZINC000876605322 617032190 /nfs/dbraw/zinc/03/21/90/617032190.db2.gz LTGXXHQRSZOEIU-OAHLLOKOSA-N 1 0 294.351 0.356 20 10 CCCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000228356486 625391209 /nfs/dbraw/zinc/39/12/09/625391209.db2.gz KUYWWZJYZTTXFA-LLVKDONJSA-N 1 0 278.308 0.831 20 10 CCCDRO CN1CCO[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000091662131 622894874 /nfs/dbraw/zinc/89/48/74/622894874.db2.gz HYWFDNCSEJWHHU-ZDUSSCGKSA-N 1 0 263.341 0.258 20 10 CCCDRO NOCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000904456856 634750037 /nfs/dbraw/zinc/75/00/37/634750037.db2.gz MERMRQADZFLICT-UHFFFAOYSA-N 1 0 265.357 0.893 20 10 CCCDRO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccccc1O ZINC000925797169 631251142 /nfs/dbraw/zinc/25/11/42/631251142.db2.gz PHVWLKWSNSLOQB-NEPJUHHUSA-N 1 0 298.408 0.820 20 10 CCCDRO Nc1ccc(CC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000238111461 631440227 /nfs/dbraw/zinc/44/02/27/631440227.db2.gz LHNBRFNSWULJJL-UHFFFAOYSA-N 1 0 276.384 0.223 20 10 CCCDRO O=c1ccn(CCC[NH2+]Cc2ccccc2O)c(=O)[nH]1 ZINC000898333285 633305400 /nfs/dbraw/zinc/30/54/00/633305400.db2.gz QXAYRSWOTPIXEZ-UHFFFAOYSA-N 1 0 275.308 0.834 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000224790328 636927042 /nfs/dbraw/zinc/92/70/42/636927042.db2.gz LJLYKFKPYRMDHW-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1O ZINC000228422134 637057723 /nfs/dbraw/zinc/05/77/23/637057723.db2.gz XDECGOHEAFOYQY-ZDUSSCGKSA-N 1 0 279.340 0.108 20 10 CCCDRO C[C@H](NC(=O)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237623242 638233106 /nfs/dbraw/zinc/23/31/06/638233106.db2.gz OLRKBXJTVVBAAQ-NSHDSACASA-N 1 0 263.341 0.659 20 10 CCCDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104022 650528614 /nfs/dbraw/zinc/52/86/14/650528614.db2.gz PJDZAUUSUFRJDS-LLVKDONJSA-N 1 0 279.340 0.923 20 10 CCCDRO CS(=O)(=O)NC1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000802654943 640700603 /nfs/dbraw/zinc/70/06/03/640700603.db2.gz PTBFAYGVZJGYFD-UHFFFAOYSA-N 1 0 288.344 0.701 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1C ZINC000824893746 641851698 /nfs/dbraw/zinc/85/16/98/641851698.db2.gz ZJQFGYQUSJEAJZ-TXEJJXNPSA-N 1 0 274.320 0.713 20 10 CCCDRO [NH3+]CCCCn1cc(C(=O)NCc2ccccc2O)nn1 ZINC000828015812 642059203 /nfs/dbraw/zinc/05/92/03/642059203.db2.gz NZICUGCNCBWZST-UHFFFAOYSA-N 1 0 289.339 0.653 20 10 CCCDRO [NH3+]C1(CNC(=O)NCc2ccccc2O)CCOCC1 ZINC000861668336 644905661 /nfs/dbraw/zinc/90/56/61/644905661.db2.gz PLDLEEBRJMLATK-UHFFFAOYSA-N 1 0 279.340 0.699 20 10 CCCDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(F)ccc1O ZINC000862465437 645001608 /nfs/dbraw/zinc/00/16/08/645001608.db2.gz QRMVGHXQYJACIB-ZDUSSCGKSA-N 1 0 295.358 0.961 20 10 CCCDRO NC(=O)C[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000862535817 645005857 /nfs/dbraw/zinc/00/58/57/645005857.db2.gz YYNVEXTZEASGAK-NSHDSACASA-N 1 0 250.298 0.468 20 10 CCCDRO C[C@@]1(C(=O)NCCc2ccc(N)cc2)C[NH2+]CCO1 ZINC000876528723 646619452 /nfs/dbraw/zinc/61/94/52/646619452.db2.gz WYWOEUJKCVVKDI-AWEZNQCLSA-N 1 0 263.341 0.306 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)CO)c1ccc(N2CCOCC2)cc1 ZINC000930210121 648836663 /nfs/dbraw/zinc/83/66/63/648836663.db2.gz KJKHYXIQVLAJTG-DOMZBBRYSA-N 1 0 280.368 0.527 20 10 CCCDRO NC(=O)[C@@H]1CCSC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277658074 805932889 /nfs/dbraw/zinc/93/28/89/805932889.db2.gz XKXHSFVWXLZAHD-NSHDSACASA-N 1 0 294.376 0.891 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008801 806004154 /nfs/dbraw/zinc/00/41/54/806004154.db2.gz HLRVTOJDZHEYDJ-SECBINFHSA-N 1 0 266.297 0.501 20 10 CCCDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(O)c1 ZINC001233014902 806006122 /nfs/dbraw/zinc/00/61/22/806006122.db2.gz FEQBXRBVDKPSHP-UWVGGRQHSA-N 1 0 250.298 0.692 20 10 CCCDRO Oc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)cc1O ZINC001234981236 806325652 /nfs/dbraw/zinc/32/56/52/806325652.db2.gz JBFHAQBGYXJVON-AWEZNQCLSA-N 1 0 263.341 0.235 20 10 CCCDRO Cc1ccc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)c1 ZINC001234985742 806329322 /nfs/dbraw/zinc/32/93/22/806329322.db2.gz FEEJQBMPNFRMRH-HNNXBMFYSA-N 1 0 261.369 0.838 20 10 CCCDRO Oc1ccc(O)c(CN2CCNC[C@]23CC[NH2+]C3)c1 ZINC001234991197 806338657 /nfs/dbraw/zinc/33/86/57/806338657.db2.gz WGJNFEMVZBPUPK-CQSZACIVSA-N 1 0 263.341 0.235 20 10 CCCDRO Oc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235043542 806349748 /nfs/dbraw/zinc/34/97/48/806349748.db2.gz FADFDRBFFZBKKQ-WDEREUQCSA-N 1 0 250.298 0.740 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(O)c(C)c1O ZINC001236198691 806551265 /nfs/dbraw/zinc/55/12/65/806551265.db2.gz NCVMMQRZINIWKX-QWRGUYRKSA-N 1 0 280.324 0.481 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236282205 806558063 /nfs/dbraw/zinc/55/80/63/806558063.db2.gz BZFXEIIQVYNORQ-GOEBONIOSA-N 1 0 273.380 0.927 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(F)c(F)cc2O)C[C@H]1[NH3+] ZINC001236347184 806576951 /nfs/dbraw/zinc/57/69/51/806576951.db2.gz KNPVJUYJEMRPBA-GZMMTYOYSA-N 1 0 286.278 0.603 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1OC ZINC001236750728 806606962 /nfs/dbraw/zinc/60/69/62/806606962.db2.gz XZMHRGWQLPUUHS-GXFFZTMASA-N 1 0 297.351 0.585 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](O)C2)cc1OC ZINC001236748874 806607605 /nfs/dbraw/zinc/60/76/05/806607605.db2.gz BKEXWCAUEVBPKF-LLVKDONJSA-N 1 0 283.324 0.603 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001237050975 806634577 /nfs/dbraw/zinc/63/45/77/806634577.db2.gz ZFVNPHKKGKQFHU-SWLSCSKDSA-N 1 0 281.352 0.966 20 10 CCCDRO CN1CCCc2cc(CNC(=O)CNCC[NH3+])ccc21 ZINC001121916259 799091937 /nfs/dbraw/zinc/09/19/37/799091937.db2.gz SMPBFWGXNMIDLW-UHFFFAOYSA-N 1 0 276.384 0.234 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(N)cc1 ZINC001122540400 799259181 /nfs/dbraw/zinc/25/91/81/799259181.db2.gz UDRQQHJVVXHYQF-SMDDNHRTSA-N 1 0 274.368 0.273 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140058077 799877369 /nfs/dbraw/zinc/87/73/69/799877369.db2.gz SDEAGOAGTPYJHD-GXFFZTMASA-N 1 0 255.289 0.706 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001140947790 799964357 /nfs/dbraw/zinc/96/43/57/799964357.db2.gz FUXVVRKRVRQKPU-GXTWGEPZSA-N 1 0 251.326 0.876 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031578 799973746 /nfs/dbraw/zinc/97/37/46/799973746.db2.gz IDEUAXBPVWJLIS-IINYFYTJSA-N 1 0 297.351 0.585 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001161134945 802098414 /nfs/dbraw/zinc/09/84/14/802098414.db2.gz RHEDIFNFPIUJTH-HIFRSBDPSA-N 1 0 290.411 0.790 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001203590499 803035883 /nfs/dbraw/zinc/03/58/83/803035883.db2.gz ZVMXNCXETXZQKO-WDEREUQCSA-N 1 0 253.298 0.186 20 10 CCCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277723 803076855 /nfs/dbraw/zinc/07/68/55/803076855.db2.gz JCDOOYVPZQRIFG-NSHDSACASA-N 1 0 279.340 0.991 20 10 CCCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc(O)c1O ZINC001205946389 803188873 /nfs/dbraw/zinc/18/88/73/803188873.db2.gz LCPPBPGGBRRFAJ-MWLCHTKSSA-N 1 0 268.313 0.000 20 10 CCCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001206437061 803243887 /nfs/dbraw/zinc/24/38/87/803243887.db2.gz QOUYJSMQHKHMCQ-SFYZADRCSA-N 1 0 256.277 0.675 20 10 CCCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001220114865 804502611 /nfs/dbraw/zinc/50/26/11/804502611.db2.gz ACDBKALLLKPISH-ONGXEEELSA-N 1 0 294.351 0.850 20 10 CCCDRO Nc1ccc(CC(=O)NCc2ncn3c2C[NH2+]CCC3)cc1 ZINC001220312749 804571924 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O=C(c1cccc(O)c1O)N1CC(n2ccnc2)C1 ZINC000707352036 819735543 /nfs/dbraw/zinc/73/55/43/819735543.db2.gz CHOVAEATACTMII-UHFFFAOYSA-N 1 0 259.265 0.991 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000710848813 819850759 /nfs/dbraw/zinc/85/07/59/819850759.db2.gz YDIQFUUVZWOFAR-HNNXBMFYSA-N 1 0 277.368 0.747 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(Cl)c1 ZINC001206102149 839761482 /nfs/dbraw/zinc/76/14/82/839761482.db2.gz PKBIQDICPMBWMF-VXGBXAGGSA-N 1 0 286.759 0.948 20 10 CCCDRO OC[C@H]1C[C@H](F)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499169 840065045 /nfs/dbraw/zinc/06/50/45/840065045.db2.gz CXZYXVYOAPOYTN-IUCAKERBSA-N 1 0 271.288 0.956 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001144500298 840066661 /nfs/dbraw/zinc/06/66/61/840066661.db2.gz QXDYEJILVAUZDH-UHFFFAOYSA-N 1 0 280.324 0.320 20 10 CCCDRO CCN1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001172021838 841798835 /nfs/dbraw/zinc/79/88/35/841798835.db2.gz QFUXYVTUVSGHBF-BXUZGUMPSA-N 1 0 294.351 0.732 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)Cn2ccnn2)c1 ZINC001182239027 843759423 /nfs/dbraw/zinc/75/94/23/843759423.db2.gz RXNZCBNWGGGPQX-LLVKDONJSA-N 1 0 278.312 0.143 20 10 CCCDRO COc1cc(C(=O)NC(=N)SCC[NH3+])cc(O)c1O ZINC001193114071 845982273 /nfs/dbraw/zinc/98/22/73/845982273.db2.gz KBWLXHRNNPOZDO-UHFFFAOYSA-N 1 0 285.325 0.463 20 10 CCCDRO CN1CC[C@@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001273671773 846231433 /nfs/dbraw/zinc/23/14/33/846231433.db2.gz QPANNVGQDIMFQI-HNNXBMFYSA-N 1 0 292.335 0.858 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(OC)c1 ZINC001205958913 848062843 /nfs/dbraw/zinc/06/28/43/848062843.db2.gz HEZKUKAERJHESU-DGCLKSJQSA-N 1 0 282.340 0.303 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)COCC(=O)N2C ZINC001274303114 848444805 /nfs/dbraw/zinc/44/48/05/848444805.db2.gz DJSLAPMOIPLHEF-UHFFFAOYSA-N 1 0 276.336 0.744 20 10 CCCDRO COc1ccc2c(c1)CCCN2CC(=O)N1CC[NH2+]CC1 ZINC001327087611 914363990 /nfs/dbraw/zinc/36/39/90/914363990.db2.gz OZVHUIILMMHFFT-UHFFFAOYSA-N 1 0 289.379 0.880 20 10 CCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001336974573 921136280 /nfs/dbraw/zinc/13/62/80/921136280.db2.gz AZUQNSQARJWHBX-AWEZNQCLSA-N 1 0 291.399 0.314 20 10 CCCDRO CCOc1ccc(CN2C[C@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC001338861490 921592345 /nfs/dbraw/zinc/59/23/45/921592345.db2.gz NHWGPUOJBWESJW-DGCLKSJQSA-N 1 0 295.335 0.899 20 10 CCCDRO Nc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC001328224761 915038262 /nfs/dbraw/zinc/03/82/62/915038262.db2.gz RFIOJDWQFOPFPX-UHFFFAOYSA-N 1 0 274.328 0.852 20 10 CCCDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331155922 917133473 /nfs/dbraw/zinc/13/34/73/917133473.db2.gz SDKADIOOANFXAO-LLVKDONJSA-N 1 0 289.335 0.103 20 10 CCCDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N)cc1)CC2 ZINC001334753166 919743549 /nfs/dbraw/zinc/74/35/49/919743549.db2.gz AUBACYKJUHVWAI-UHFFFAOYSA-N 1 0 270.336 0.921 20 10 CCCDRO NC(=O)[C@H]1Cc2ccccc2N(C(=O)C2=CCC[NH2+]CC2)C1 ZINC001340033126 921923269 /nfs/dbraw/zinc/92/32/69/921923269.db2.gz HJLACEJFQFEJTR-AWEZNQCLSA-N 1 0 299.374 0.987 20 10 CCCDRO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571744 348042267 /nfs/dbraw/zinc/04/22/67/348042267.db2.gz YXTRCCCHAWABDI-GFCCVEGCSA-N 1 0 277.368 0.829 20 10 CCCDRO CCOc1cccc(C[NH2+]CCS(C)(=O)=O)c1O ZINC000037740512 348200262 /nfs/dbraw/zinc/20/02/62/348200262.db2.gz SEENFSCSLUWDIC-UHFFFAOYSA-N 1 0 273.354 0.925 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000184191495 351405926 /nfs/dbraw/zinc/40/59/26/351405926.db2.gz YIQQDMGXRDWORK-ZDUSSCGKSA-N 1 0 253.298 0.642 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccccc1O ZINC000187569748 351547474 /nfs/dbraw/zinc/54/74/74/351547474.db2.gz NDMYXSDPBAHBRA-MNOVXSKESA-N 1 0 251.282 0.500 20 10 CCCDRO CCN(CCO)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000187570749 351547540 /nfs/dbraw/zinc/54/75/40/351547540.db2.gz OKBSMVULTZNBLC-UHFFFAOYSA-N 1 0 298.383 0.813 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000364575536 357120575 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174070850 /nfs/dbraw/zinc/07/08/50/174070850.db2.gz RZDBOSRKUKYMKK-NSHDSACASA-N 1 0 253.298 0.906 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000184191032 262271906 /nfs/dbraw/zinc/27/19/06/262271906.db2.gz YSFLSGVWMRLWEH-CQSZACIVSA-N 1 0 250.342 0.994 20 10 CCCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000377160998 268051329 /nfs/dbraw/zinc/05/13/29/268051329.db2.gz IARBRYYFOLWTKF-VIFPVBQESA-N 1 0 278.308 0.818 20 10 CCCDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000269256495 328190182 /nfs/dbraw/zinc/19/01/82/328190182.db2.gz KHRVXJIIZKTHRV-AWEZNQCLSA-N 1 0 277.368 0.648 20 10 CCCDRO COC[C@](C)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000777483224 581116719 /nfs/dbraw/zinc/11/67/19/581116719.db2.gz ITIMFSFAYQNGGO-AWEZNQCLSA-N 1 0 285.340 0.896 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1F ZINC000789560013 581151525 /nfs/dbraw/zinc/15/15/25/581151525.db2.gz DTKCGTRPYZBVTR-SNVBAGLBSA-N 1 0 294.330 0.612 20 10 CCCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1O ZINC000729858930 581617343 /nfs/dbraw/zinc/61/73/43/581617343.db2.gz GWNAIRUFZODFGR-LLVKDONJSA-N 1 0 264.325 0.969 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(N)=O)c1 ZINC000775369472 582021230 /nfs/dbraw/zinc/02/12/30/582021230.db2.gz DJMAVMUHTKVWBS-ZETCQYMHSA-N 1 0 267.285 0.246 20 10 CCCDRO O=C1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1 ZINC000768447608 582106824 /nfs/dbraw/zinc/10/68/24/582106824.db2.gz AEJSHNZSFMIYHY-GFCCVEGCSA-N 1 0 278.308 0.140 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000832177587 617255527 /nfs/dbraw/zinc/25/55/27/617255527.db2.gz BEUCPZZOWSNIAU-NSHDSACASA-N 1 0 250.298 0.769 20 10 CCCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1OC ZINC000893997146 617258820 /nfs/dbraw/zinc/25/88/20/617258820.db2.gz IRJKWUFHXSCBQA-VIFPVBQESA-N 1 0 282.340 0.976 20 10 CCCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CO)CC2)cc1 ZINC000929317017 617267655 /nfs/dbraw/zinc/26/76/55/617267655.db2.gz UXWUSSXREKGRJA-AWEZNQCLSA-N 1 0 280.368 0.561 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852886246 617273501 /nfs/dbraw/zinc/27/35/01/617273501.db2.gz ZNGUAOMMDKDWFS-PSASIEDQSA-N 1 0 293.323 0.682 20 10 CCCDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850852483 614745605 /nfs/dbraw/zinc/74/56/05/614745605.db2.gz ILAFGJGSCFJQIC-ZDUSSCGKSA-N 1 0 290.367 0.808 20 10 CCCDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(O)c1O ZINC000848025694 615000625 /nfs/dbraw/zinc/00/06/25/615000625.db2.gz ZQPHOYFJUPOAOU-NSHDSACASA-N 1 0 296.367 0.920 20 10 CCCDRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653512 615057244 /nfs/dbraw/zinc/05/72/44/615057244.db2.gz QWTUYHALWPKMAK-VIFPVBQESA-N 1 0 265.313 0.889 20 10 CCCDRO CCOc1ccc(CN2CCOC3(C[NH2+]C3)C2)c(O)c1 ZINC000853248383 615510610 /nfs/dbraw/zinc/51/06/10/615510610.db2.gz FEZBJKRWJNFVGM-UHFFFAOYSA-N 1 0 278.352 0.965 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1 ZINC000825017709 615512255 /nfs/dbraw/zinc/51/22/55/615512255.db2.gz XXPVIESVCRCIEV-ZIAGYGMSSA-N 1 0 267.325 0.982 20 10 CCCDRO CCc1cccc(C[NH2+]CC(=O)NCC(=O)OC)c1O ZINC000877706285 615683260 /nfs/dbraw/zinc/68/32/60/615683260.db2.gz JPJJIJHLWHXRKA-UHFFFAOYSA-N 1 0 280.324 0.333 20 10 CCCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(OC)cc1O ZINC000842008224 615791823 /nfs/dbraw/zinc/79/18/23/615791823.db2.gz SNTZPZZXTHLVAI-JTQLQIEISA-N 1 0 267.329 0.937 20 10 CCCDRO CC[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927022518 615818542 /nfs/dbraw/zinc/81/85/42/615818542.db2.gz DWYFOKTXSIJLED-PWSUYJOCSA-N 1 0 287.381 0.838 20 10 CCCDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000886322152 615960565 /nfs/dbraw/zinc/96/05/65/615960565.db2.gz PJVZEJQOOAZFBH-UHFFFAOYSA-N 1 0 284.381 0.906 20 10 CCCDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841059861 615975943 /nfs/dbraw/zinc/97/59/43/615975943.db2.gz XYXBWEPGGWLMFO-CYBMUJFWSA-N 1 0 290.367 0.760 20 10 CCCDRO CN(C)c1cc(F)c(C[NH2+]CCc2nnnn2C)cc1F ZINC000858156073 616006358 /nfs/dbraw/zinc/00/63/58/616006358.db2.gz KZEXNFDPQGOQIP-UHFFFAOYSA-N 1 0 296.325 0.887 20 10 CCCDRO CN(C)c1ccc(CN(C)c2nc(N)[nH+]c(N)n2)cc1 ZINC000858323332 616013995 /nfs/dbraw/zinc/01/39/95/616013995.db2.gz HMJFKCSYFZIJHV-UHFFFAOYSA-N 1 0 273.344 0.738 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000825973736 616014195 /nfs/dbraw/zinc/01/41/95/616014195.db2.gz PFBOXWADHVXZLA-UHFFFAOYSA-N 1 0 277.368 0.747 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839166091 616014440 /nfs/dbraw/zinc/01/44/40/616014440.db2.gz PJJQBOWQGVGKAB-GXTWGEPZSA-N 1 0 250.342 0.538 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1F ZINC000876741826 616014615 /nfs/dbraw/zinc/01/46/15/616014615.db2.gz TXCZZQWUTOATJG-UHFFFAOYSA-N 1 0 294.374 0.413 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852855364 616015491 /nfs/dbraw/zinc/01/54/91/616015491.db2.gz JFOMABPZVHZQHH-UONOGXRCSA-N 1 0 277.368 0.733 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852855362 616015642 /nfs/dbraw/zinc/01/56/42/616015642.db2.gz JFOMABPZVHZQHH-KBPBESRZSA-N 1 0 277.368 0.733 20 10 CCCDRO CN(C)c1ccc(Cn2cc(C[C@H]([NH3+])CO)nn2)cc1 ZINC000881272103 616016456 /nfs/dbraw/zinc/01/64/56/616016456.db2.gz MRYHKSMWOKORPH-LBPRGKRZSA-N 1 0 275.356 0.255 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCC[NH3+])cc1 ZINC000842222847 616166906 /nfs/dbraw/zinc/16/69/06/616166906.db2.gz SXIBMASJBDVHFQ-UHFFFAOYSA-N 1 0 292.383 0.176 20 10 CCCDRO CN1CCN(C(=O)C[NH2+]Cc2ccccc2O)CC1 ZINC000134230139 616223544 /nfs/dbraw/zinc/22/35/44/616223544.db2.gz RTVGQFQPWBKFNA-UHFFFAOYSA-N 1 0 263.341 0.256 20 10 CCCDRO COCCNC(=O)C1([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000839193808 616484770 /nfs/dbraw/zinc/48/47/70/616484770.db2.gz VVRXQNFGALSQAG-UHFFFAOYSA-N 1 0 294.351 0.786 20 10 CCCDRO COC[C@]1(C(=O)N[C@@H](C)c2ccccc2O)C[NH2+]CCO1 ZINC000877256782 616851423 /nfs/dbraw/zinc/85/14/23/616851423.db2.gz DYKAGRPTJPDJIA-NHYWBVRUSA-N 1 0 294.351 0.574 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000850483353 616918384 /nfs/dbraw/zinc/91/83/84/616918384.db2.gz YEYDVNIRUIAEOI-KCJUWKMLSA-N 1 0 278.308 0.718 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000117946627 616922825 /nfs/dbraw/zinc/92/28/25/616922825.db2.gz MMQMJNGJTWMASZ-NSHDSACASA-N 1 0 256.321 0.989 20 10 CCCDRO C[NH2+][C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218613 617054466 /nfs/dbraw/zinc/05/44/66/617054466.db2.gz YESRIPCONRYBFW-AWEZNQCLSA-N 1 0 290.411 0.663 20 10 CCCDRO CON1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000929976715 617097090 /nfs/dbraw/zinc/09/70/90/617097090.db2.gz QGYKODQFQASZKB-NSHDSACASA-N 1 0 250.298 0.986 20 10 CCCDRO COc1c([O-])c(C[NH2+]C[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000841049658 617149148 /nfs/dbraw/zinc/14/91/48/617149148.db2.gz UYFPCHWKRNSVJP-QMMMGPOBSA-N 1 0 269.301 0.993 20 10 CCCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000160327178 624704931 /nfs/dbraw/zinc/70/49/31/624704931.db2.gz OVBDIIWOWBIZAS-OAHLLOKOSA-N 1 0 289.379 0.973 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000892039405 625042174 /nfs/dbraw/zinc/04/21/74/625042174.db2.gz STUHYDPCJARVNP-BJHJDKERSA-N 1 0 262.357 0.848 20 10 CCCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000895325138 632055037 /nfs/dbraw/zinc/05/50/37/632055037.db2.gz OHIILADZODZBDI-NOZJJQNGSA-N 1 0 273.279 0.988 20 10 CCCDRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927031461 633579435 /nfs/dbraw/zinc/57/94/35/633579435.db2.gz OFIPSFKHQVQNTF-NXEZZACHSA-N 1 0 273.354 0.448 20 10 CCCDRO O=C1C[C@@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)CN1 ZINC000922782647 639784231 /nfs/dbraw/zinc/78/42/31/639784231.db2.gz SGRNFAUJLIRQFA-SECBINFHSA-N 1 0 278.308 0.737 20 10 CCCDRO O=C1C[C@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)CN1 ZINC000922782648 639784546 /nfs/dbraw/zinc/78/45/46/639784546.db2.gz SGRNFAUJLIRQFA-VIFPVBQESA-N 1 0 278.308 0.737 20 10 CCCDRO Cc1cc(CN(CC[NH3+])C[C@@H](O)CO)ccc1N(C)C ZINC000923387000 640116043 /nfs/dbraw/zinc/11/60/43/640116043.db2.gz IHMWZJSSSMMHDF-CQSZACIVSA-N 1 0 281.400 0.175 20 10 CCCDRO Nc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000818556344 641334870 /nfs/dbraw/zinc/33/48/70/641334870.db2.gz NFYMGTGCGFYVJY-UHFFFAOYSA-N 1 0 260.301 0.461 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000832658798 642510210 /nfs/dbraw/zinc/51/02/10/642510210.db2.gz CIZUNXSTDCJEQX-SNVBAGLBSA-N 1 0 257.284 0.910 20 10 CCCDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cccc(O)c1O ZINC000833559996 642539948 /nfs/dbraw/zinc/53/99/48/642539948.db2.gz YLJOBTMUARQYGN-LLVKDONJSA-N 1 0 294.351 0.674 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000841955591 642860923 /nfs/dbraw/zinc/86/09/23/642860923.db2.gz HNFDJEBWRQNIKO-ZDUSSCGKSA-N 1 0 262.357 0.848 20 10 CCCDRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000842203162 642882481 /nfs/dbraw/zinc/88/24/81/642882481.db2.gz PXRKJGMTEBQUSM-WDEREUQCSA-N 1 0 292.383 0.393 20 10 CCCDRO Oc1ccc(F)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843423282 643053198 /nfs/dbraw/zinc/05/31/98/643053198.db2.gz BUNYWNMLNRZPFY-CYBMUJFWSA-N 1 0 266.316 0.782 20 10 CCCDRO [NH3+]CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843483017 643073081 /nfs/dbraw/zinc/07/30/81/643073081.db2.gz BOMHGVIBGVAKMS-LBPRGKRZSA-N 1 0 264.325 0.859 20 10 CCCDRO Cc1ccc(O)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848925843 643689373 /nfs/dbraw/zinc/68/93/73/643689373.db2.gz FSVXJMHMCLTJQS-UONOGXRCSA-N 1 0 262.353 0.951 20 10 CCCDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC(=O)Nc2cnccc21 ZINC000876747026 646655532 /nfs/dbraw/zinc/65/55/32/646655532.db2.gz SJHUMSVZQZFSFS-BYCRGOAPSA-N 1 0 286.335 0.923 20 10 CCCDRO O[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000876749049 646657355 /nfs/dbraw/zinc/65/73/55/646657355.db2.gz HRIXRXSXYMMSRN-IYBDPMFKSA-N 1 0 292.379 0.185 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000876771886 646662074 /nfs/dbraw/zinc/66/20/74/646662074.db2.gz BQLFDRVAKRCMKU-GFCCVEGCSA-N 1 0 278.352 0.726 20 10 CCCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749657 646839278 /nfs/dbraw/zinc/83/92/78/646839278.db2.gz ZZEFFUBIVVFRBG-NEPJUHHUSA-N 1 0 257.717 0.973 20 10 CCCDRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccccc1O ZINC000879650317 647090091 /nfs/dbraw/zinc/09/00/91/647090091.db2.gz UDTVJSAREARKPU-UWVGGRQHSA-N 1 0 277.324 0.983 20 10 CCCDRO NC(=O)[C@H]1COCCC12C[NH+](Cc1ccccc1O)C2 ZINC001277441165 805578051 /nfs/dbraw/zinc/57/80/51/805578051.db2.gz IFSZEWIMFRGGKG-GFCCVEGCSA-N 1 0 276.336 0.716 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(O)c1 ZINC001277453693 805595095 /nfs/dbraw/zinc/59/50/95/805595095.db2.gz GNPFAMYIGCTQJW-YGRLFVJLSA-N 1 0 262.309 0.851 20 10 CCCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1 ZINC001277463012 805646918 /nfs/dbraw/zinc/64/69/18/805646918.db2.gz FFXYBQUPIYYTID-CMPLNLGQSA-N 1 0 291.307 0.073 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@H]1O ZINC001232260535 805914322 /nfs/dbraw/zinc/91/43/22/805914322.db2.gz RFUQOVIEOAQKNA-ONGXEEELSA-N 1 0 287.743 0.926 20 10 CCCDRO C[NH+]1CC2(C1)CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015130 806006307 /nfs/dbraw/zinc/00/63/07/806006307.db2.gz HDLVVYCWAYCPHS-UHFFFAOYSA-N 1 0 264.325 0.941 20 10 CCCDRO CC(C)(C)[N@@H+](Cc1cc(O)c(O)c(O)c1)C[C@@H](O)CO ZINC001233014428 806006967 /nfs/dbraw/zinc/00/69/67/806006967.db2.gz UIKIPSBOHXRBCY-SNVBAGLBSA-N 1 0 285.340 0.757 20 10 CCCDRO CC(=O)N1CCN(Cc2cc(O)c(O)cc2O)[C@@H](C)C1 ZINC001233486480 806062738 /nfs/dbraw/zinc/06/27/38/806062738.db2.gz OEACJQVPOTZVBK-VIFPVBQESA-N 1 0 280.324 0.856 20 10 CCCDRO Oc1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235052854 806355428 /nfs/dbraw/zinc/35/54/28/806355428.db2.gz PYMHPYSEMMSTHU-CQSZACIVSA-N 1 0 263.341 0.235 20 10 CCCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(O)cc(O)cc1O)C2 ZINC001235158224 806380820 /nfs/dbraw/zinc/38/08/20/806380820.db2.gz OJKQWUGNXHQVBP-ISVAXAHUSA-N 1 0 250.298 0.727 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)cc1O ZINC001236023556 806530098 /nfs/dbraw/zinc/53/00/98/806530098.db2.gz BWCZEUYJMOELAW-ZANVPECISA-N 1 0 250.298 0.639 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(C)cc(C)cc1O ZINC001236056401 806539058 /nfs/dbraw/zinc/53/90/58/806539058.db2.gz GZYORQCDZGRGDX-ZDUSSCGKSA-N 1 0 278.352 0.956 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(OC)cc1O ZINC001236197337 806550131 /nfs/dbraw/zinc/55/01/31/806550131.db2.gz QJKKYBSEKLKKES-PWSUYJOCSA-N 1 0 280.324 0.475 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(O)ccc(F)c1F ZINC001236201375 806553473 /nfs/dbraw/zinc/55/34/73/806553473.db2.gz MMGPFRLNRVUXMP-XVKPBYJWSA-N 1 0 286.278 0.745 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1[NH3+] ZINC001236351465 806581965 /nfs/dbraw/zinc/58/19/65/806581965.db2.gz USFCNESUFPSJHG-KOLCDFICSA-N 1 0 284.743 0.978 20 10 CCCDRO COCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC001122402836 799223941 /nfs/dbraw/zinc/22/39/41/799223941.db2.gz PFDPTWYHIHOCNU-AWEZNQCLSA-N 1 0 277.368 0.648 20 10 CCCDRO COc1cc(CN2CCNC(=O)C2)cc(C[NH+](C)C)c1O ZINC001139253502 799800232 /nfs/dbraw/zinc/80/02/32/799800232.db2.gz WGBSVQVSXHYTHN-UHFFFAOYSA-N 1 0 293.367 0.394 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001140743877 799937346 /nfs/dbraw/zinc/93/73/46/799937346.db2.gz CLVCFCZTNYERAH-YPMHNXCESA-N 1 0 267.325 0.581 20 10 CCCDRO NC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254742 806792055 /nfs/dbraw/zinc/79/20/55/806792055.db2.gz GDEYIBZCWXFUFK-LBPRGKRZSA-N 1 0 294.326 0.855 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156126 799984329 /nfs/dbraw/zinc/98/43/29/799984329.db2.gz FZRUFVSRKGLSHN-UONOGXRCSA-N 1 0 267.325 0.663 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156409 799984907 /nfs/dbraw/zinc/98/49/07/799984907.db2.gz WPLQZWGJSLJWGU-SECBINFHSA-N 1 0 250.298 0.795 20 10 CCCDRO O=C(N1CCc2cccc(O)c2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160872912 802036720 /nfs/dbraw/zinc/03/67/20/802036720.db2.gz PWHGGZJZVVFZBW-BLLLJJGKSA-N 1 0 287.363 0.228 20 10 CCCDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001161016114 802061799 /nfs/dbraw/zinc/06/17/99/802061799.db2.gz RWIFCIZVFAGZIC-RXNUUUNCSA-N 1 0 262.309 0.931 20 10 CCCDRO COC(=O)c1cc(N2CC[C@@H]([NH3+])C2)cc2c1OCC(=O)N2 ZINC001164281498 802704941 /nfs/dbraw/zinc/70/49/41/802704941.db2.gz FPEAZCGZBWKIFS-MRVPVSSYSA-N 1 0 291.307 0.342 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001203620783 803037723 /nfs/dbraw/zinc/03/77/23/803037723.db2.gz IBURDXNCZVVKQF-FZMZJTMJSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC001203670596 803041364 /nfs/dbraw/zinc/04/13/64/803041364.db2.gz UPCVKTQJCWKVOE-GWCFXTLKSA-N 1 0 253.298 0.186 20 10 CCCDRO COc1cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)cc1O ZINC001206097095 803206549 /nfs/dbraw/zinc/20/65/49/803206549.db2.gz HGKOSUBAERDJPS-NXEZZACHSA-N 1 0 268.313 0.000 20 10 CCCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490153 804613518 /nfs/dbraw/zinc/61/35/18/804613518.db2.gz VUHILZNUDRENEE-GXSJLCMTSA-N 1 0 292.335 0.785 20 10 CCCDRO COc1cc(C[NH2+]C23CC(C(N)=O)(C2)C3)cc(O)c1O ZINC001277219923 805365888 /nfs/dbraw/zinc/36/58/88/805365888.db2.gz VSCGKHSODCPINX-UHFFFAOYSA-N 1 0 278.308 0.604 20 10 CCCDRO CCOC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252043742 807773223 /nfs/dbraw/zinc/77/32/23/807773223.db2.gz DMWJMVBXQKCSDS-SNVBAGLBSA-N 1 0 271.313 0.333 20 10 CCCDRO CCOc1cccc(C[NH2+]CC(=O)N(C)OC)c1O ZINC000397541790 811859809 /nfs/dbraw/zinc/85/98/09/811859809.db2.gz OUKYUJMAQCMAIW-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO COc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC000093101951 814157565 /nfs/dbraw/zinc/15/75/65/814157565.db2.gz HSUUEOVJLMHRMJ-UHFFFAOYSA-N 1 0 250.298 0.723 20 10 CCCDRO O=S1(=O)CCN(c2ccc(C3=CC[NH2+]C3)cc2)CC1 ZINC001243110783 837029858 /nfs/dbraw/zinc/02/98/58/837029858.db2.gz KFSOPAXYWXGRBN-UHFFFAOYSA-N 1 0 278.377 0.908 20 10 CCCDRO Cc1cc(F)cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206109796 839844904 /nfs/dbraw/zinc/84/49/04/839844904.db2.gz HMBZEMQWVLAHFN-VXGBXAGGSA-N 1 0 254.305 0.734 20 10 CCCDRO COCCCN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514379 840073364 /nfs/dbraw/zinc/07/33/64/840073364.db2.gz ALVVRNFEFQAYLE-UHFFFAOYSA-N 1 0 296.367 0.958 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1C ZINC001144515403 840075235 /nfs/dbraw/zinc/07/52/35/840075235.db2.gz NFHLBYSKRDVKLL-LLVKDONJSA-N 1 0 296.323 0.092 20 10 CCCDRO COc1cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc(O)c1O ZINC001206414964 843138962 /nfs/dbraw/zinc/13/89/62/843138962.db2.gz SIOCQMZLMIWOCU-UWVGGRQHSA-N 1 0 270.304 0.978 20 10 CCCDRO C[NH+](C)CCN1CC2(C1)CN(Cc1ccc(O)c(O)c1)C2 ZINC001275821038 848835409 /nfs/dbraw/zinc/83/54/09/848835409.db2.gz GSPAHUZTODDIKA-UHFFFAOYSA-N 1 0 291.395 0.777 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001276112596 848931073 /nfs/dbraw/zinc/93/10/73/848931073.db2.gz JQZQTEDFCVCCFV-BETUJISGSA-N 1 0 278.352 0.921 20 10 CCCDRO COC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000382563539 853852531 /nfs/dbraw/zinc/85/25/31/853852531.db2.gz MKJOWGUJVYWOFX-ZDUSSCGKSA-N 1 0 269.297 0.608 20 10 CCCDRO COCC[N@H+](Cc1ccc(N)cc1)[C@H](C)C(N)=O ZINC001120263248 857023878 /nfs/dbraw/zinc/02/38/78/857023878.db2.gz LZLDEJGUKTYWSH-SNVBAGLBSA-N 1 0 251.330 0.591 20 10 CCCDRO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(N)cc3)C[C@H]2C1=O ZINC001120371930 857049613 /nfs/dbraw/zinc/04/96/13/857049613.db2.gz VMHIMUUDFLPPNN-TXEJJXNPSA-N 1 0 259.309 0.315 20 10 CCCDRO CC[NH2+]CCCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331619352 917455093 /nfs/dbraw/zinc/45/50/93/917455093.db2.gz MHVFFFXXAZYUCK-UHFFFAOYSA-N 1 0 291.351 0.350 20 10 CCCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331636868 917467837 /nfs/dbraw/zinc/46/78/37/917467837.db2.gz GQXVMNFLVQZNLS-VHSXEESVSA-N 1 0 291.351 0.476 20 10 CCCDRO [NH3+]C[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001333425031 918894733 /nfs/dbraw/zinc/89/47/33/918894733.db2.gz VOCIZKKRXOHSBQ-LBPRGKRZSA-N 1 0 289.335 0.088 20 10 CCCDRO COC(=O)[C@H]1C[NH+](Cc2ccc(N)cc2)C[C@@H]1C(=O)OC ZINC001334753234 919743035 /nfs/dbraw/zinc/74/30/35/919743035.db2.gz BIWUFYGNMNIKHI-STQMWFEESA-N 1 0 292.335 0.663 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001340943743 922286828 /nfs/dbraw/zinc/28/68/28/922286828.db2.gz LGEILPWMEOIRQN-WFASDCNBSA-N 1 0 293.411 0.927 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@@H](O)C[NH3+])C2)cc1 ZINC001341350372 922438050 /nfs/dbraw/zinc/43/80/50/922438050.db2.gz MIDGGJGBQHBOMP-WCQYABFASA-N 1 0 293.367 0.100 20 10 CCCDRO [NH3+]C[C@@H](O)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001343556678 923371507 /nfs/dbraw/zinc/37/15/07/923371507.db2.gz DSSKOWWJWNJCIK-NSHDSACASA-N 1 0 278.352 0.597 20 10 CCCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC001346507958 924244291 /nfs/dbraw/zinc/24/42/91/924244291.db2.gz YLMNSTFOKAUAEF-GSJFWJNXSA-N 1 0 290.367 0.664 20 10 CCCDRO [NH3+][C@H](CO)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001357361254 926516997 /nfs/dbraw/zinc/51/69/97/926516997.db2.gz GXBFPDZKXMIBHJ-CYBMUJFWSA-N 1 0 263.341 0.223 20 10 CCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(O)c1O ZINC000188434900 351595181 /nfs/dbraw/zinc/59/51/81/351595181.db2.gz FRIHBECAUOFTEI-NSHDSACASA-N 1 0 293.367 0.464 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000294736212 199159503 /nfs/dbraw/zinc/15/95/03/199159503.db2.gz GRWYHUGOPVNTKT-LLVKDONJSA-N 1 0 253.298 0.594 20 10 CCCDRO CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2cccnc21 ZINC000638118652 374684190 /nfs/dbraw/zinc/68/41/90/374684190.db2.gz WOZICEYJADPCJV-LLVKDONJSA-N 1 0 258.325 0.912 20 10 CCCDRO Oc1ccccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000060332781 388936182 /nfs/dbraw/zinc/93/61/82/388936182.db2.gz GOODFERUMVOZMK-ZDUSSCGKSA-N 1 0 250.342 0.939 20 10 CCCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000193673693 389077412 /nfs/dbraw/zinc/07/74/12/389077412.db2.gz UIXPMMNJZGAJAW-ISVAXAHUSA-N 1 0 278.308 0.735 20 10 CCCDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc(O)c1O ZINC000298614602 389035928 /nfs/dbraw/zinc/03/59/28/389035928.db2.gz OLDVVRWDVXZJFE-NSHDSACASA-N 1 0 294.351 0.674 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCCOCCO)c1 ZINC000227521854 389151039 /nfs/dbraw/zinc/15/10/39/389151039.db2.gz MYYUFMPWFCSTFF-UHFFFAOYSA-N 1 0 255.314 0.889 20 10 CCCDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(O)c1O ZINC000253103128 389266554 /nfs/dbraw/zinc/26/65/54/389266554.db2.gz YLYYGFAOJYWZPZ-QWRGUYRKSA-N 1 0 292.335 0.691 20 10 CCCDRO CN1CCO[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180724195 389674272 /nfs/dbraw/zinc/67/42/72/389674272.db2.gz BTHWJVAZQXDYAD-OGOUPESXSA-N 1 0 292.335 0.558 20 10 CCCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3O)CCN2C1=O ZINC000368588000 262106126 /nfs/dbraw/zinc/10/61/26/262106126.db2.gz CAXFDAAKDPHLBU-LBPRGKRZSA-N 1 0 289.335 0.861 20 10 CCCDRO C[NH+](C)C1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000302137298 273792632 /nfs/dbraw/zinc/79/26/32/273792632.db2.gz NDXWTPCKPIBCQF-UHFFFAOYSA-N 1 0 292.295 0.676 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1F ZINC000237085458 522202409 /nfs/dbraw/zinc/20/24/09/522202409.db2.gz DLXKAOZTBBXKLX-CMPLNLGQSA-N 1 0 281.331 0.231 20 10 CCCDRO OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785979625 581426105 /nfs/dbraw/zinc/42/61/05/581426105.db2.gz ABAKHKCQMMPQFG-GFCCVEGCSA-N 1 0 284.331 0.105 20 10 CCCDRO CCOc1ccc(C[NH+]2CCN(CCO)CC2)c(O)c1 ZINC000771928061 581834786 /nfs/dbraw/zinc/83/47/86/581834786.db2.gz MKQRQKFCCVTJGW-UHFFFAOYSA-N 1 0 280.368 0.901 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000895014699 617175546 /nfs/dbraw/zinc/17/55/46/617175546.db2.gz MBKKXWNEUCJBNU-QWHCGFSZSA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC(=O)N2)cc1OC ZINC000827371366 617207816 /nfs/dbraw/zinc/20/78/16/617207816.db2.gz SJQYONIIOUSAJF-JTQLQIEISA-N 1 0 280.324 0.778 20 10 CCCDRO COc1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000843499634 617253573 /nfs/dbraw/zinc/25/35/73/617253573.db2.gz KWKZRZMIUPPSAW-CYBMUJFWSA-N 1 0 294.351 0.786 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000852885978 617274000 /nfs/dbraw/zinc/27/40/00/617274000.db2.gz WFIFBBNDDKAHGG-DRCTWCGVSA-N 1 0 294.351 0.942 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000828667921 617274066 /nfs/dbraw/zinc/27/40/66/617274066.db2.gz WLKVPBZAUVXWHK-ZANVPECISA-N 1 0 280.324 0.566 20 10 CCCDRO CCNC(=O)C1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000839138930 615455986 /nfs/dbraw/zinc/45/59/86/615455986.db2.gz QWBWYGTVIFYMOZ-UHFFFAOYSA-N 1 0 264.325 0.969 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749200 615516246 /nfs/dbraw/zinc/51/62/46/615516246.db2.gz QHCBRVYQZFLVQW-NEPJUHHUSA-N 1 0 267.325 0.718 20 10 CCCDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc(O)c1O ZINC000842251724 615912569 /nfs/dbraw/zinc/91/25/69/615912569.db2.gz XYDYZNRGDGKDNI-CQSZACIVSA-N 1 0 282.340 0.530 20 10 CCCDRO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000835028108 616011302 /nfs/dbraw/zinc/01/13/02/616011302.db2.gz JIDOABKPNOPFHU-JQBDECOXSA-N 1 0 262.353 0.803 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000844166442 616015671 /nfs/dbraw/zinc/01/56/71/616015671.db2.gz FGEFPFQVIWHFQZ-WDNDVIMCSA-N 1 0 259.353 0.834 20 10 CCCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892989983 616849967 /nfs/dbraw/zinc/84/99/67/616849967.db2.gz VQKXPMFCXJSLKL-LLVKDONJSA-N 1 0 285.340 0.896 20 10 CCCDRO COC[C@@]1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]C1 ZINC000818545171 617033346 /nfs/dbraw/zinc/03/33/46/617033346.db2.gz MUQGNOPZGBJHOS-OAHLLOKOSA-N 1 0 277.368 0.554 20 10 CCCDRO OCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020188512 625651632 /nfs/dbraw/zinc/65/16/32/625651632.db2.gz CBIAGYCOCBZKAA-UHFFFAOYSA-N 1 0 250.342 0.995 20 10 CCCDRO Cc1ccc(O)c(CN2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904403032 634742816 /nfs/dbraw/zinc/74/28/16/634742816.db2.gz ZJRYBUIJWGGLNF-CQSZACIVSA-N 1 0 250.342 0.986 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@@]1(O)CCOC1 ZINC000905091088 634791147 /nfs/dbraw/zinc/79/11/47/634791147.db2.gz XJQISIJYOFQVCE-HOCLYGCPSA-N 1 0 293.363 0.614 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1OC ZINC000893605171 631021904 /nfs/dbraw/zinc/02/19/04/631021904.db2.gz DLYRLILNQBMPSG-HNNXBMFYSA-N 1 0 296.367 0.566 20 10 CCCDRO O=c1ccn(CCC[NH2+]Cc2cc(F)ccc2O)c(=O)[nH]1 ZINC000898332625 633305589 /nfs/dbraw/zinc/30/55/89/633305589.db2.gz NMCJLTXBWNOGIA-UHFFFAOYSA-N 1 0 293.298 0.974 20 10 CCCDRO Cc1ccc(O)c(CNC(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000913000916 636720982 /nfs/dbraw/zinc/72/09/82/636720982.db2.gz ZJZMCZUIIOETFQ-UHFFFAOYSA-N 1 0 291.395 0.810 20 10 CCCDRO Cc1cc(C[N@H+](CCO)CCOCCO)ccc1N(C)C ZINC000839194894 640305915 /nfs/dbraw/zinc/30/59/15/640305915.db2.gz WMYXFKMWZRDISN-UHFFFAOYSA-N 1 0 296.411 0.864 20 10 CCCDRO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](C)C ZINC000821060832 641560473 /nfs/dbraw/zinc/56/04/73/641560473.db2.gz KZEWSWHMYDSTQP-SECBINFHSA-N 1 0 252.314 0.707 20 10 CCCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567289 642017367 /nfs/dbraw/zinc/01/73/67/642017367.db2.gz GHQFJPHEHPSRLW-GFCCVEGCSA-N 1 0 277.368 0.877 20 10 CCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000828876392 642128038 /nfs/dbraw/zinc/12/80/38/642128038.db2.gz DYRLBSSLCOBBPZ-ZDUSSCGKSA-N 1 0 290.411 0.563 20 10 CCCDRO Oc1ccc(F)cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841085557 642802746 /nfs/dbraw/zinc/80/27/46/642802746.db2.gz HAKQJPANBZHWDP-GFCCVEGCSA-N 1 0 254.305 0.999 20 10 CCCDRO [NH3+]CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832812 642840206 /nfs/dbraw/zinc/84/02/06/642840206.db2.gz UITQQXNEVNMQDF-UHFFFAOYSA-N 1 0 260.341 0.821 20 10 CCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037356 642871938 /nfs/dbraw/zinc/87/19/38/642871938.db2.gz ZNTTWKJJLZKMLX-LLVKDONJSA-N 1 0 292.383 0.222 20 10 CCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000842221987 642883621 /nfs/dbraw/zinc/88/36/21/642883621.db2.gz WXPSZLSWHNGFQI-BXUZGUMPSA-N 1 0 298.358 0.494 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(OCCO)CCOC2)c1 ZINC000850358485 643798415 /nfs/dbraw/zinc/79/84/15/643798415.db2.gz QLWMQHSVDTUTBF-HNNXBMFYSA-N 1 0 281.352 0.958 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000862446321 645000988 /nfs/dbraw/zinc/00/09/88/645000988.db2.gz WDUUGMJJXCBSEM-KBPBESRZSA-N 1 0 250.342 0.598 20 10 CCCDRO Nc1ccc(-n2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000864619566 645250797 /nfs/dbraw/zinc/25/07/97/645250797.db2.gz GHZPBCOLLDWAEN-UHFFFAOYSA-N 1 0 272.356 0.297 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000876528289 646619569 /nfs/dbraw/zinc/61/95/69/646619569.db2.gz NXWLNKQVCIWGSO-OAHLLOKOSA-N 1 0 277.368 0.683 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000876799217 646667924 /nfs/dbraw/zinc/66/79/24/646667924.db2.gz BAPJILOBWHOBFB-LLVKDONJSA-N 1 0 261.325 0.910 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1 ZINC000877364143 646803534 /nfs/dbraw/zinc/80/35/34/646803534.db2.gz KWIATNZGJJKWFI-CQSZACIVSA-N 1 0 250.342 0.857 20 10 CCCDRO Cc1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1 ZINC000877605923 646828735 /nfs/dbraw/zinc/82/87/35/646828735.db2.gz XSBYWMNZQIXNKT-CQSZACIVSA-N 1 0 262.353 0.951 20 10 CCCDRO OC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929969759 648808070 /nfs/dbraw/zinc/80/80/70/648808070.db2.gz DADYPCWETODBGW-ZIAGYGMSSA-N 1 0 281.352 0.726 20 10 CCCDRO COc1cc(N(C)C)ccc1CN1CC(C(N)=O)C1 ZINC001231853891 805862276 /nfs/dbraw/zinc/86/22/76/805862276.db2.gz TZFGEDFNWLWJJR-UHFFFAOYSA-N 1 0 263.341 0.678 20 10 CCCDRO CCNC(=O)CN(C)Cc1cc(O)c(O)cc1O ZINC001233482526 806060072 /nfs/dbraw/zinc/06/00/72/806060072.db2.gz RASPGTFFMFDXDI-UHFFFAOYSA-N 1 0 254.286 0.371 20 10 CCCDRO CN1CC2(C1)CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233487103 806063955 /nfs/dbraw/zinc/06/39/55/806063955.db2.gz PNUJTINBGQLSDO-UHFFFAOYSA-N 1 0 264.325 0.941 20 10 CCCDRO COc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234978650 806323070 /nfs/dbraw/zinc/32/30/70/806323070.db2.gz AYVPOPDEIAOELE-HNNXBMFYSA-N 1 0 277.368 0.538 20 10 CCCDRO Cc1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061355 806364594 /nfs/dbraw/zinc/36/45/94/806364594.db2.gz KQGVMTSZXMKFDF-OAHLLOKOSA-N 1 0 261.369 0.838 20 10 CCCDRO CN(C)c1ccc(CNS(=O)(=O)CC[NH3+])cc1 ZINC000722230281 806441450 /nfs/dbraw/zinc/44/14/50/806441450.db2.gz KFLXPHUEGPSVAE-UHFFFAOYSA-N 1 0 257.359 0.131 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(O)ccc(F)c1F ZINC001236056406 806539854 /nfs/dbraw/zinc/53/98/54/806539854.db2.gz HDPJDNMDOGSFEJ-JTQLQIEISA-N 1 0 286.278 0.617 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC001236748987 806607549 /nfs/dbraw/zinc/60/75/49/806607549.db2.gz DFGIBISGDVULEU-VXGBXAGGSA-N 1 0 297.351 0.585 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC001236748985 806607569 /nfs/dbraw/zinc/60/75/69/806607569.db2.gz DFGIBISGDVULEU-RYUDHWBXSA-N 1 0 297.351 0.585 20 10 CCCDRO Cc1ccc(C)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001140178390 799886867 /nfs/dbraw/zinc/88/68/67/799886867.db2.gz KKVLEPFOODIIGV-DGCLKSJQSA-N 1 0 251.326 0.794 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC001140744404 799937293 /nfs/dbraw/zinc/93/72/93/799937293.db2.gz WLJXFMAOZSJRDS-NSHDSACASA-N 1 0 253.298 0.599 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC001140744487 799938378 /nfs/dbraw/zinc/93/83/78/799938378.db2.gz ZBCKTWBYQTYWJO-DGCLKSJQSA-N 1 0 267.325 0.581 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001140743973 799938541 /nfs/dbraw/zinc/93/85/41/799938541.db2.gz GWPJSUWSWKLRHN-ZFWWWQNUSA-N 1 0 281.352 0.971 20 10 CCCDRO C[C@]1(CO)C[N@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141155895 799985585 /nfs/dbraw/zinc/98/55/85/799985585.db2.gz AFOIXXRTTRKKDF-UONOGXRCSA-N 1 0 267.325 0.663 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(O)ccc1O ZINC001141161740 799986620 /nfs/dbraw/zinc/98/66/20/799986620.db2.gz WMBOEWMGICFGGX-LBPRGKRZSA-N 1 0 266.341 0.860 20 10 CCCDRO N[C@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]C1 ZINC001160924442 802047401 /nfs/dbraw/zinc/04/74/01/802047401.db2.gz JHKYNLAUEJQQSV-OAHLLOKOSA-N 1 0 291.351 0.063 20 10 CCCDRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924876 802048082 /nfs/dbraw/zinc/04/80/82/802048082.db2.gz REVAAIBKFDPHGF-RYUDHWBXSA-N 1 0 292.335 0.095 20 10 CCCDRO COCC(=O)N[C@H](C)c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163836597 802622666 /nfs/dbraw/zinc/62/26/66/802622666.db2.gz WGARMZKWVJJBIQ-GFCCVEGCSA-N 1 0 295.383 0.268 20 10 CCCDRO COc1cccc(CN2CC[NH+](CCCO)CC2)c1O ZINC001203589511 803036014 /nfs/dbraw/zinc/03/60/14/803036014.db2.gz JXHKKNHGOKCPLU-UHFFFAOYSA-N 1 0 280.368 0.901 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001203602233 803036698 /nfs/dbraw/zinc/03/66/98/803036698.db2.gz KIVKWXCCMVUACK-QWHCGFSZSA-N 1 0 281.352 0.966 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203875540 803048908 /nfs/dbraw/zinc/04/89/08/803048908.db2.gz PKKFJLPHYJEDIO-ZWNOBZJWSA-N 1 0 253.298 0.273 20 10 CCCDRO COCC(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879687 803051105 /nfs/dbraw/zinc/05/11/05/803051105.db2.gz XYHIBRGIMMVNAX-UHFFFAOYSA-N 1 0 294.351 0.825 20 10 CCCDRO C[C@@]1(CO)C[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276807 803077084 /nfs/dbraw/zinc/07/70/84/803077084.db2.gz RZKKZUMZWIARMF-KBPBESRZSA-N 1 0 267.325 0.663 20 10 CCCDRO Cc1cc(C)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206097306 803206488 /nfs/dbraw/zinc/20/64/88/803206488.db2.gz MGJBGJMHSYLNOE-CHWSQXEVSA-N 1 0 250.342 0.903 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CC[C@]1(O)CCOC1)OCO2 ZINC000404199367 803848761 /nfs/dbraw/zinc/84/87/61/803848761.db2.gz KPHXCWXJTKQEPA-AWEZNQCLSA-N 1 0 281.308 0.752 20 10 CCCDRO [NH3+][C@H](C(=O)NCc1ccccc1O)C1CCC(O)CC1 ZINC001219923497 804448483 /nfs/dbraw/zinc/44/84/83/804448483.db2.gz PAYKVLANHRVGGS-OVGLSYRBSA-N 1 0 278.352 0.887 20 10 CCCDRO O=C(CC1CC[NH2+]CC1)NCCc1cc(O)c(O)cc1O ZINC001220115617 804504681 /nfs/dbraw/zinc/50/46/81/804504681.db2.gz QSPNILZMHFXEMB-UHFFFAOYSA-N 1 0 294.351 0.852 20 10 CCCDRO O=C(CNC(=O)[C@@H]1CC[NH2+]C[C@H]1F)c1ccc(O)c(O)c1 ZINC001220490024 804613849 /nfs/dbraw/zinc/61/38/49/804613849.db2.gz PQTHOOCAWALCSH-NXEZZACHSA-N 1 0 296.298 0.344 20 10 CCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)CN1 ZINC001246170551 807175555 /nfs/dbraw/zinc/17/55/55/807175555.db2.gz MXLUFXQKTRTLHH-NEPJUHHUSA-N 1 0 264.325 0.775 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)CN1 ZINC001246343911 807227987 /nfs/dbraw/zinc/22/79/87/807227987.db2.gz CLVNKCHHBBCBDJ-NEPJUHHUSA-N 1 0 264.325 0.694 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC001251039273 807652204 /nfs/dbraw/zinc/65/22/04/807652204.db2.gz ARTOMPCSOAHTJA-INIZCTEOSA-N 1 0 293.411 0.535 20 10 CCCDRO OC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252062469 807787081 /nfs/dbraw/zinc/78/70/81/807787081.db2.gz MOBMVFAZLGXLQK-NSHDSACASA-N 1 0 253.298 0.199 20 10 CCCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(=O)OC ZINC001252425456 807837951 /nfs/dbraw/zinc/83/79/51/807837951.db2.gz DBGUABRGJFONDN-GFCCVEGCSA-N 1 0 253.298 0.748 20 10 CCCDRO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252666347 807933152 /nfs/dbraw/zinc/93/31/52/807933152.db2.gz ZTIDHSBSFWXZLT-SMDDNHRTSA-N 1 0 285.340 0.507 20 10 CCCDRO CC[NH+](CC)C[C@H](O)CNC[C@@H](O)c1ccc(O)c(O)c1 ZINC001253175515 808017482 /nfs/dbraw/zinc/01/74/82/808017482.db2.gz NUCFWRZTMCXPIG-IUODEOHRSA-N 1 0 298.383 0.424 20 10 CCCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253809448 808149827 /nfs/dbraw/zinc/14/98/27/808149827.db2.gz HPYKNKAHBCUABT-JTQLQIEISA-N 1 0 269.297 0.502 20 10 CCCDRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccccc1O ZINC000695423371 811697025 /nfs/dbraw/zinc/69/70/25/811697025.db2.gz GDLFSZCKBMALJD-UHFFFAOYSA-N 1 0 284.381 0.907 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cccc(C)c2O)C[C@H]1[NH3+] ZINC001236351211 817281378 /nfs/dbraw/zinc/28/13/78/817281378.db2.gz KKRVDDIEMYUDHW-NWDGAFQWSA-N 1 0 264.325 0.633 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(CO)OC)c1 ZINC000702514105 819135963 /nfs/dbraw/zinc/13/59/63/819135963.db2.gz KXHUROZERPKEMH-CYBMUJFWSA-N 1 0 255.314 0.888 20 10 CCCDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001169492823 836301689 /nfs/dbraw/zinc/30/16/89/836301689.db2.gz CXBPYOVBZYTOIP-BXUZGUMPSA-N 1 0 280.324 0.342 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001203585579 844221829 /nfs/dbraw/zinc/22/18/29/844221829.db2.gz PLIXZZFEKQPUEE-RYUDHWBXSA-N 1 0 267.325 0.576 20 10 CCCDRO O=[N+]([O-])c1cc2c(cc1N1C[C@H](O)C[C@@H]1CO)C[NH2+]C2 ZINC001170286856 837296270 /nfs/dbraw/zinc/29/62/70/837296270.db2.gz BSQCHEZJLGVPSG-GHMZBOCLSA-N 1 0 279.296 0.130 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001203620986 844437914 /nfs/dbraw/zinc/43/79/14/844437914.db2.gz LXZWTRHQSDVESB-HUUCEWRRSA-N 1 0 281.352 0.966 20 10 CCCDRO Cc1c(O)ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206092508 839579724 /nfs/dbraw/zinc/57/97/24/839579724.db2.gz KCFOXNZZBLBZGJ-ZYHUDNBSSA-N 1 0 252.314 0.300 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1O ZINC001144504553 840068275 /nfs/dbraw/zinc/06/82/75/840068275.db2.gz UYKFCBSRUCLBND-KBPBESRZSA-N 1 0 283.324 0.369 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144515078 840073822 /nfs/dbraw/zinc/07/38/22/840073822.db2.gz DQPYJFVQPLOPJU-SNVBAGLBSA-N 1 0 282.340 0.566 20 10 CCCDRO C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144848679 840158422 /nfs/dbraw/zinc/15/84/22/840158422.db2.gz VBIMRILYMQKAGU-QMMMGPOBSA-N 1 0 287.410 0.057 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001206524922 843860427 /nfs/dbraw/zinc/86/04/27/843860427.db2.gz ALWYPTGMWCKIKQ-CABZTGNLSA-N 1 0 256.733 0.797 20 10 CCCDRO CN1CC[C@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001273843687 847655324 /nfs/dbraw/zinc/65/53/24/847655324.db2.gz UIYDQSBEBFBGRS-OAHLLOKOSA-N 1 0 292.335 0.858 20 10 CCCDRO COc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205967659 848162070 /nfs/dbraw/zinc/16/20/70/848162070.db2.gz UPBBDIVKLKSSEV-ZIAGYGMSSA-N 1 0 279.384 0.655 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000717354967 848237381 /nfs/dbraw/zinc/23/73/81/848237381.db2.gz RQZABAQSEWCMPN-RDDDGLTNSA-N 1 0 290.157 0.986 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000381404905 849756900 /nfs/dbraw/zinc/75/69/00/849756900.db2.gz XGYCREOZRNALEV-SNVBAGLBSA-N 1 0 250.298 0.721 20 10 CCCDRO CC[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001117981135 856127404 /nfs/dbraw/zinc/12/74/04/856127404.db2.gz ROFHSYWKCAGEHH-UHFFFAOYSA-N 1 0 293.367 0.466 20 10 CCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001118554682 856339791 /nfs/dbraw/zinc/33/97/91/856339791.db2.gz YSUKPMPFPXMCFM-SNVBAGLBSA-N 1 0 279.340 0.075 20 10 CCCDRO CN1C[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001272903064 898146992 /nfs/dbraw/zinc/14/69/92/898146992.db2.gz LEZSXLIMNCLDDH-OAHLLOKOSA-N 1 0 292.335 0.531 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CN1 ZINC001246246902 904000468 /nfs/dbraw/zinc/00/04/68/904000468.db2.gz UZAOJBXRZJVDGL-MNOVXSKESA-N 1 0 280.324 0.133 20 10 CCCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCNS(C)(=O)=O)c1 ZINC001319468341 910165622 /nfs/dbraw/zinc/16/56/22/910165622.db2.gz VNTHACVTSWWZIX-UHFFFAOYSA-N 1 0 286.397 0.990 20 10 CCCDRO CCOc1ccc(CN2C[C@@H](O)C[C@H]2C(=O)OC)c(O)c1 ZINC001338861489 921593495 /nfs/dbraw/zinc/59/34/95/921593495.db2.gz NHWGPUOJBWESJW-AAEUAGOBSA-N 1 0 295.335 0.899 20 10 CCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001333178310 918712928 /nfs/dbraw/zinc/71/29/28/918712928.db2.gz KTPRIKFIRVLNON-NSHDSACASA-N 1 0 292.383 0.222 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001335285582 920091924 /nfs/dbraw/zinc/09/19/24/920091924.db2.gz QCDNGSZWZPUKTR-LBPRGKRZSA-N 1 0 283.397 0.769 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](O)C[NH3+])cc1F ZINC001341605554 922578199 /nfs/dbraw/zinc/57/81/99/922578199.db2.gz OLQWRCTVACQYFE-LBPRGKRZSA-N 1 0 297.374 0.998 20 10 CCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(N)cc1 ZINC001345160417 923815277 /nfs/dbraw/zinc/81/52/77/923815277.db2.gz VMRPPHCMTLTWRM-CYBMUJFWSA-N 1 0 263.341 0.606 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1cccc(O)c1O ZINC001349079853 924880614 /nfs/dbraw/zinc/88/06/14/924880614.db2.gz UHZXILJWYPVOMB-PWSUYJOCSA-N 1 0 291.351 0.102 20 10 CCCDRO CN1CC[N@H+](C)CC(C(=O)NCc2cccc(O)c2O)C1 ZINC001349080083 924881381 /nfs/dbraw/zinc/88/13/81/924881381.db2.gz YXQFLWZJDPBTOE-UHFFFAOYSA-N 1 0 293.367 0.207 20 10 CCCDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c(O)c1 ZINC000187548359 351546398 /nfs/dbraw/zinc/54/63/98/351546398.db2.gz UGMKRSBJVVOLSX-JTQLQIEISA-N 1 0 277.324 0.903 20 10 CCCDRO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000294260679 353882786 /nfs/dbraw/zinc/88/27/86/353882786.db2.gz UZXWLUFZFFZQHV-OKILXGFUSA-N 1 0 250.342 0.598 20 10 CCCDRO Cc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1N(C)C ZINC000294260682 353882944 /nfs/dbraw/zinc/88/29/44/353882944.db2.gz UZXWLUFZFFZQHV-ZIAGYGMSSA-N 1 0 250.342 0.598 20 10 CCCDRO CNC(=O)C1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000297468615 353960387 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CCCDRO O=C1OC[C@]2(C[NH2+]Cc3ccccc3O)COCCN12 ZINC000865770600 645415468 /nfs/dbraw/zinc/41/54/68/645415468.db2.gz SVLGIBPCZQBITF-AWEZNQCLSA-N 1 0 278.308 0.703 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c(O)c1 ZINC000876800115 646667556 /nfs/dbraw/zinc/66/75/56/646667556.db2.gz ODWULDHQWHCMOH-LBPRGKRZSA-N 1 0 261.325 0.910 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000877018240 646717241 /nfs/dbraw/zinc/71/72/41/646717241.db2.gz UIBDYSJMSHWHPT-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(N)=O ZINC000877481009 646818308 /nfs/dbraw/zinc/81/83/08/646818308.db2.gz RMDLSOSJUGDGRU-LLVKDONJSA-N 1 0 277.368 0.611 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c(O)c1 ZINC000877560725 646823975 /nfs/dbraw/zinc/82/39/75/646823975.db2.gz YYYRPNPMCKFYSE-ZDUSSCGKSA-N 1 0 285.365 0.340 20 10 CCCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000133915761 647660694 /nfs/dbraw/zinc/66/06/94/647660694.db2.gz XRHCTCDZRIJLTQ-SNVBAGLBSA-N 1 0 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NRXPYUITZVXZDY-JTQLQIEISA-N 1 0 252.314 0.939 20 10 CCCDRO Oc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc(O)c1O ZINC001233009811 806005414 /nfs/dbraw/zinc/00/54/14/806005414.db2.gz CAYHCTSBJVUJOL-GFCCVEGCSA-N 1 0 294.351 0.710 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233485333 806060792 /nfs/dbraw/zinc/06/07/92/806060792.db2.gz RCPHVRUPLIJLDA-UHFFFAOYSA-N 1 0 254.286 0.371 20 10 CCCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484124 806062544 /nfs/dbraw/zinc/06/25/44/806062544.db2.gz ZAHQMJFRQHUAES-YGRLFVJLSA-N 1 0 280.324 0.318 20 10 CCCDRO COc1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234978653 806323423 /nfs/dbraw/zinc/32/34/23/806323423.db2.gz AYVPOPDEIAOELE-OAHLLOKOSA-N 1 0 277.368 0.538 20 10 CCCDRO COc1cc(C)c(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986936 806331631 /nfs/dbraw/zinc/33/16/31/806331631.db2.gz CVWWJSXGMWSNKF-MRXNPFEDSA-N 1 0 291.395 0.847 20 10 CCCDRO CN(C)c1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235051770 806353344 /nfs/dbraw/zinc/35/33/44/806353344.db2.gz LLVMEVSCVDMKRP-MRXNPFEDSA-N 1 0 274.412 0.890 20 10 CCCDRO Oc1c(F)cccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235055735 806359999 /nfs/dbraw/zinc/35/99/99/806359999.db2.gz WSVWJCYHLUBJDS-CQSZACIVSA-N 1 0 265.332 0.669 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(C)c1O ZINC001236055553 806537029 /nfs/dbraw/zinc/53/70/29/806537029.db2.gz RBJNMGKDKLOQPA-LBPRGKRZSA-N 1 0 264.325 0.647 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)C[C@@H]1[NH3+] ZINC001236343199 806573617 /nfs/dbraw/zinc/57/36/17/806573617.db2.gz OMTFQYYOJQKVHG-MNOVXSKESA-N 1 0 280.324 0.333 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(F)cc(C)c2O)C[C@H]1[NH3+] ZINC001236363208 806587953 /nfs/dbraw/zinc/58/79/53/806587953.db2.gz ZTNYFMGNLIWKHL-NWDGAFQWSA-N 1 0 282.315 0.772 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(CO)C2)cc1OC ZINC001236757033 806606949 /nfs/dbraw/zinc/60/69/49/806606949.db2.gz WEEYNJQIGLPHPT-UHFFFAOYSA-N 1 0 253.298 0.834 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 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COc1ccc(N(CC[NH3+])CCO)c(OC)c1F ZINC001163836375 802622751 /nfs/dbraw/zinc/62/27/51/802622751.db2.gz UUYUMSCWASVXCP-UHFFFAOYSA-N 1 0 258.293 0.600 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001203670512 803041035 /nfs/dbraw/zinc/04/10/35/803041035.db2.gz SGBAALLTBDFDDW-RISCZKNCSA-N 1 0 267.325 0.576 20 10 CCCDRO O=C1COC2(CC[NH+](Cc3ccc(O)cc3O)CC2)CN1 ZINC001204279637 803075851 /nfs/dbraw/zinc/07/58/51/803075851.db2.gz DHPPTOOYFSVHSN-UHFFFAOYSA-N 1 0 292.335 0.579 20 10 CCCDRO COc1cc(CN2CC[C@@H](CO)[C@H](O)C2)cc(O)c1O ZINC001204344176 803079309 /nfs/dbraw/zinc/07/93/09/803079309.db2.gz VSTUXQLJBZLELW-CMPLNLGQSA-N 1 0 283.324 0.282 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)c1 ZINC001204843631 803105062 /nfs/dbraw/zinc/10/50/62/803105062.db2.gz SAABVJLWKAOFPN-NEPJUHHUSA-N 1 0 282.315 0.589 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1O ZINC001206092564 803205458 /nfs/dbraw/zinc/20/54/58/803205458.db2.gz NCMBWYMMJUZEHV-ZYHUDNBSSA-N 1 0 256.733 0.940 20 10 CCCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)NC2CC2)c(O)c1 ZINC001207768288 803448517 /nfs/dbraw/zinc/44/85/17/803448517.db2.gz DPWDNMKPNGEUTL-UHFFFAOYSA-N 1 0 284.381 0.872 20 10 CCCDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923160 804447936 /nfs/dbraw/zinc/44/79/36/804447936.db2.gz DVAOPXHXLZKYQZ-XTZNXHDOSA-N 1 0 270.354 0.104 20 10 CCCDRO [NH3+][C@@H](CC1CCC1)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489552 804613795 /nfs/dbraw/zinc/61/37/95/804613795.db2.gz ALLZBYPONSHMCS-NSHDSACASA-N 1 0 292.335 0.914 20 10 CCCDRO Oc1ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491940 804904344 /nfs/dbraw/zinc/90/43/44/804904344.db2.gz KTEPOLQRKUXYMK-KBPBESRZSA-N 1 0 277.368 0.624 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1 ZINC001246168349 807173400 /nfs/dbraw/zinc/17/34/00/807173400.db2.gz CLIGAQIGRNFHOD-MNOVXSKESA-N 1 0 250.298 0.385 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CN1 ZINC001246317864 807220242 /nfs/dbraw/zinc/22/02/42/807220242.db2.gz RUFYWQWZAQEQPA-UWVGGRQHSA-N 1 0 266.297 0.091 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CC(C(N)=O)C2)c(O)c1 ZINC001249208604 807547787 /nfs/dbraw/zinc/54/77/87/807547787.db2.gz YBGFGTHAMNFSMO-UHFFFAOYSA-N 1 0 278.308 0.025 20 10 CCCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2O)C1 ZINC000701541788 818975925 /nfs/dbraw/zinc/97/59/25/818975925.db2.gz BWQUIQHJBPJALM-RISCZKNCSA-N 1 0 264.325 0.775 20 10 CCCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2O)C1 ZINC000701541789 818976517 /nfs/dbraw/zinc/97/65/17/818976517.db2.gz BWQUIQHJBPJALM-SMDDNHRTSA-N 1 0 264.325 0.775 20 10 CCCDRO NC(=O)CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001119295090 821088356 /nfs/dbraw/zinc/08/83/56/821088356.db2.gz CQPUPHRHYSCHMV-GFCCVEGCSA-N 1 0 273.336 0.943 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001203602432 844312584 /nfs/dbraw/zinc/31/25/84/844312584.db2.gz WORDFQOQKPJAQG-STQMWFEESA-N 1 0 281.352 0.966 20 10 CCCDRO C[N@@H+]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001135306797 839202374 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ZINC001206437062 843340754 /nfs/dbraw/zinc/34/07/54/843340754.db2.gz QOUYJSMQHKHMCQ-YUMQZZPRSA-N 1 0 256.277 0.675 20 10 CCCDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253704843 851030285 /nfs/dbraw/zinc/03/02/85/851030285.db2.gz VTLROPPIFAZGHN-LBPRGKRZSA-N 1 0 283.324 0.890 20 10 CCCDRO COC[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000382563537 853851909 /nfs/dbraw/zinc/85/19/09/853851909.db2.gz MKJOWGUJVYWOFX-CYBMUJFWSA-N 1 0 269.297 0.608 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O)cc1C ZINC001482326703 893872141 /nfs/dbraw/zinc/87/21/41/893872141.db2.gz MYQRTATYYFWQSL-LLVKDONJSA-N 1 0 293.367 0.425 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000697290677 894315565 /nfs/dbraw/zinc/31/55/65/894315565.db2.gz SEQABMQLIMKKCD-WCQYABFASA-N 1 0 285.365 0.602 20 10 CCCDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000386616220 897471112 /nfs/dbraw/zinc/47/11/12/897471112.db2.gz DGYXMAATTSJFRC-CQSZACIVSA-N 1 0 289.379 0.844 20 10 CCCDRO C[C@@]12C[NH+](Cc3ccc(N)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001337838619 921297219 /nfs/dbraw/zinc/29/72/19/921297219.db2.gz QZJZNKLBNMUYRW-GJZGRUSLSA-N 1 0 273.336 0.753 20 10 CCCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)cc1 ZINC001332682724 918380627 /nfs/dbraw/zinc/38/06/27/918380627.db2.gz CGQVGKYDVJQWCN-BBRMVZONSA-N 1 0 294.395 0.949 20 10 CCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001333979786 919293420 /nfs/dbraw/zinc/29/34/20/919293420.db2.gz OLIWVAXDTSRIFM-SNVBAGLBSA-N 1 0 291.351 0.206 20 10 CCCDRO C[S@@](=O)C1(C(=O)NCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001342699660 923060738 /nfs/dbraw/zinc/06/07/38/923060738.db2.gz MYZIGCYHAUCHFO-HXUWFJFHSA-N 1 0 295.408 0.386 20 10 CCCDRO C[NH+](C)CCn1cc(C(=O)NCc2ccc(N)cc2)cn1 ZINC001343566923 923375062 /nfs/dbraw/zinc/37/50/62/923375062.db2.gz LYKILGOPSMDJIJ-UHFFFAOYSA-N 1 0 287.367 0.957 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCCc2nnnn2C)c1 ZINC001352100428 925522341 /nfs/dbraw/zinc/52/23/41/925522341.db2.gz PTCNVQDHDSVUFX-UHFFFAOYSA-N 1 0 261.329 0.947 20 10 CCCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(O)c1O ZINC001352658382 925614808 /nfs/dbraw/zinc/61/48/08/925614808.db2.gz UCNTUWRJCZFVQJ-NSHDSACASA-N 1 0 294.351 0.682 20 10 CCCDRO C[NH+](C)C1(CNC(=O)c2cccc(O)c2O)CCOCC1 ZINC000187094397 351529200 /nfs/dbraw/zinc/52/92/00/351529200.db2.gz WGHJZXHPUAXFMU-UHFFFAOYSA-N 1 0 294.351 0.938 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000187668360 351551035 /nfs/dbraw/zinc/55/10/35/351551035.db2.gz YFVJMFFRLRQWLZ-QWRGUYRKSA-N 1 0 253.298 0.328 20 10 CCCDRO COc1cccc(C[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000230989692 352123962 /nfs/dbraw/zinc/12/39/62/352123962.db2.gz NFGGFCWSWSBEKK-UHFFFAOYSA-N 1 0 288.369 0.382 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC(C)(CO)CO ZINC000271206144 353032670 /nfs/dbraw/zinc/03/26/70/353032670.db2.gz WFOIWEHDZSIUFK-UHFFFAOYSA-N 1 0 283.324 0.544 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@H](CO)C2)cc1OC ZINC000271745592 353034297 /nfs/dbraw/zinc/03/42/97/353034297.db2.gz SMYWSRMHWWJRGR-NSHDSACASA-N 1 0 283.324 0.603 20 10 CCCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CN1 ZINC000278611287 353303005 /nfs/dbraw/zinc/30/30/05/353303005.db2.gz DLAQGHWCIBOXDO-HNNXBMFYSA-N 1 0 290.319 0.833 20 10 CCCDRO CCS(=O)(=O)NCC[N@H+](C)Cc1ccccc1O ZINC000109773793 389099764 /nfs/dbraw/zinc/09/97/64/389099764.db2.gz AVRLGJAJMBFOOD-UHFFFAOYSA-N 1 0 272.370 0.763 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000248647642 389248495 /nfs/dbraw/zinc/24/84/95/389248495.db2.gz TUFSDZYSVGJLCV-UONOGXRCSA-N 1 0 250.342 0.680 20 10 CCCDRO COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cccc(OC)c1O ZINC000372638908 389455500 /nfs/dbraw/zinc/45/55/00/389455500.db2.gz KWLHAYMEYHAIPL-AAEUAGOBSA-N 1 0 295.335 0.899 20 10 CCCDRO C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035602368 134799406 /nfs/dbraw/zinc/79/94/06/134799406.db2.gz DQKZPCMLQOCHIJ-GFCCVEGCSA-N 1 0 250.342 0.994 20 10 CCCDRO COCC[NH2+]CCNCc1ccc2c(c1)CCO2 ZINC000228737299 329347680 /nfs/dbraw/zinc/34/76/80/329347680.db2.gz GPCVSOCNIYLGTA-UHFFFAOYSA-N 1 0 250.342 0.947 20 10 CCCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230990802 333323254 /nfs/dbraw/zinc/32/32/54/333323254.db2.gz APNCFYDHEUMAKR-UHFFFAOYSA-N 1 0 284.381 0.603 20 10 CCCDRO Cc1cccc(C[NH2+]CCCn2cc(CO)nn2)c1O ZINC000291698940 524432631 /nfs/dbraw/zinc/43/26/31/524432631.db2.gz YTUDZNNBKAFZLB-UHFFFAOYSA-N 1 0 276.340 0.964 20 10 CCCDRO COc1cccc(C[N@H+](C)CC(C)(CO)CO)c1O ZINC000093502789 525912821 /nfs/dbraw/zinc/91/28/21/525912821.db2.gz WBANLXCPDGEZSL-UHFFFAOYSA-N 1 0 269.341 0.824 20 10 CCCDRO COc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000368813203 525948535 /nfs/dbraw/zinc/94/85/35/525948535.db2.gz DIAJYURIOYDGHO-ZDUSSCGKSA-N 1 0 278.352 0.917 20 10 CCCDRO OCC[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000278521346 527573022 /nfs/dbraw/zinc/57/30/22/527573022.db2.gz SDWIWKYDXFTIHC-AWEZNQCLSA-N 1 0 281.308 0.752 20 10 CCCDRO CCOc1ccc(C[NH2+]C2(C(N)=O)CC2)c(O)c1 ZINC000792174013 581250563 /nfs/dbraw/zinc/25/05/63/581250563.db2.gz CBPKZDXBAWDSPV-UHFFFAOYSA-N 1 0 250.298 0.898 20 10 CCCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)N1CC[NH+](C)CC1 ZINC000740926562 581723535 /nfs/dbraw/zinc/72/35/35/581723535.db2.gz DGZHFLBQSUFEOI-SNVBAGLBSA-N 1 0 283.397 0.819 20 10 CCCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CN(C)CCO1 ZINC000770107414 581730473 /nfs/dbraw/zinc/73/04/73/581730473.db2.gz KGIOTLFKCKFLQL-SMDDNHRTSA-N 1 0 293.367 0.911 20 10 CCCDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775369131 582021104 /nfs/dbraw/zinc/02/11/04/582021104.db2.gz KNQUGLQLNDBOLS-DTWKUNHWSA-N 1 0 295.339 0.896 20 10 CCCDRO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775830305 582041773 /nfs/dbraw/zinc/04/17/73/582041773.db2.gz HIVQMOHOBLAHAI-SNVBAGLBSA-N 1 0 278.356 0.859 20 10 CCCDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830304 582041832 /nfs/dbraw/zinc/04/18/32/582041832.db2.gz HIVQMOHOBLAHAI-JTQLQIEISA-N 1 0 278.356 0.859 20 10 CCCDRO C[C@@H]([NH3+])CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000863570361 617175132 /nfs/dbraw/zinc/17/51/32/617175132.db2.gz VXKNIZLEILKVIX-GFCCVEGCSA-N 1 0 278.400 0.648 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CC(=O)N(C)OC)c1O ZINC000895046547 617175714 /nfs/dbraw/zinc/17/57/14/617175714.db2.gz KPIXSWDRWMLCLZ-UHFFFAOYSA-N 1 0 268.313 0.819 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(O)c1 ZINC000892553993 617254555 /nfs/dbraw/zinc/25/45/55/617254555.db2.gz ZZJQZDFCMLRCFB-JGZJWPJOSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1ccc(C[NH2+]CCN2CC[C@H](O)C2)c(O)c1OC ZINC000895674186 617257987 /nfs/dbraw/zinc/25/79/87/617257987.db2.gz WQCGXWUVGQRUJS-LBPRGKRZSA-N 1 0 296.367 0.566 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000844401805 617267156 /nfs/dbraw/zinc/26/71/56/617267156.db2.gz RDZFMGPGIIQQPW-CQSZACIVSA-N 1 0 277.368 0.952 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1O ZINC000892558630 617298982 /nfs/dbraw/zinc/29/89/82/617298982.db2.gz CMTSYSUSKLBFBQ-JGZJWPJOSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1cccc(O)c1CN1CCC([NH2+]CCO)CC1 ZINC000873218043 617305405 /nfs/dbraw/zinc/30/54/05/617305405.db2.gz XURWTTRISGVLQN-UHFFFAOYSA-N 1 0 280.368 0.947 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858297574 617305256 /nfs/dbraw/zinc/30/52/56/617305256.db2.gz GZRPFFRDFGLXSY-LLVKDONJSA-N 1 0 266.341 0.557 20 10 CCCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000864051963 615682779 /nfs/dbraw/zinc/68/27/79/615682779.db2.gz XCVRMTVVPSLNGO-NEPJUHHUSA-N 1 0 264.325 0.375 20 10 CCCDRO C[NH+](C)CCN1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000854296937 615898598 /nfs/dbraw/zinc/89/85/98/615898598.db2.gz LLFVMJJPLRAYRU-UHFFFAOYSA-N 1 0 283.397 0.773 20 10 CCCDRO CN(C)c1ccc(CNC(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000876714248 616015682 /nfs/dbraw/zinc/01/56/82/616015682.db2.gz YDFJWMNWYQORPL-UHFFFAOYSA-N 1 0 285.351 0.931 20 10 CCCDRO CN(C)c1ccc(CN[C@H]2C[NH2+]CCOC2)cc1F ZINC000925530171 616016054 /nfs/dbraw/zinc/01/60/54/616016054.db2.gz OTPBBESZVZLOJI-LBPRGKRZSA-N 1 0 267.348 0.970 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccn(C)n2)cc1 ZINC000857772516 616019417 /nfs/dbraw/zinc/01/94/17/616019417.db2.gz HLEZXWWEQZINCS-ZDUSSCGKSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnnn2C)cc1 ZINC000832284791 616019717 /nfs/dbraw/zinc/01/97/17/616019717.db2.gz MDZIGKCQWWHKGC-GFCCVEGCSA-N 1 0 288.355 0.311 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)C[NH3+] ZINC000841092541 616164778 /nfs/dbraw/zinc/16/47/78/616164778.db2.gz OCAUMXMORLRJEQ-SECBINFHSA-N 1 0 262.712 0.936 20 10 CCCDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@H]2C1 ZINC000816950171 616508280 /nfs/dbraw/zinc/50/82/80/616508280.db2.gz MUMITQUURHBUNX-KOLCDFICSA-N 1 0 262.309 0.874 20 10 CCCDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000832178894 616576617 /nfs/dbraw/zinc/57/66/17/616576617.db2.gz ZJPCFYOAQXFHCQ-NSHDSACASA-N 1 0 296.323 0.298 20 10 CCCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846052687 616813984 /nfs/dbraw/zinc/81/39/84/616813984.db2.gz IDBISCZVTPMGOE-GHMZBOCLSA-N 1 0 281.308 0.703 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817981974 616918566 /nfs/dbraw/zinc/91/85/66/616918566.db2.gz AKPPKWYACMJAPP-JQWIXIFHSA-N 1 0 294.351 0.818 20 10 CCCDRO C[NH2+]C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000851682151 616991311 /nfs/dbraw/zinc/99/13/11/616991311.db2.gz SJJNYHIYLGPDMQ-VIFPVBQESA-N 1 0 267.329 0.808 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825634446 617021237 /nfs/dbraw/zinc/02/12/37/617021237.db2.gz NMWIFOXNNYIEJG-UHFFFAOYSA-N 1 0 292.788 0.993 20 10 CCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000848411234 617041162 /nfs/dbraw/zinc/04/11/62/617041162.db2.gz VTGRCDMGPJSCTE-LBPRGKRZSA-N 1 0 277.368 0.747 20 10 CCCDRO COc1ccc(N2CCC(NC(=O)C[NH3+])CC2)cc1 ZINC000167240155 623359173 /nfs/dbraw/zinc/35/91/73/623359173.db2.gz GKVLQRJFVFLVPE-UHFFFAOYSA-N 1 0 263.341 0.739 20 10 CCCDRO OC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902631433 634419819 /nfs/dbraw/zinc/41/98/19/634419819.db2.gz HVGZEPNQVAOGRC-BXKDBHETSA-N 1 0 251.282 0.385 20 10 CCCDRO [NH3+][C@@]1(CO)CCCN(Cc2cccc(F)c2O)C1 ZINC000904402027 634742355 /nfs/dbraw/zinc/74/23/55/634742355.db2.gz KVUDJKIGKCACGG-ZDUSSCGKSA-N 1 0 254.305 0.817 20 10 CCCDRO [NH3+][C@]1(CO)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000904403011 634742499 /nfs/dbraw/zinc/74/24/99/634742499.db2.gz YUSKHPUQUUETJL-CQSZACIVSA-N 1 0 280.324 0.407 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(CO)COCCN1C ZINC000896457375 632253094 /nfs/dbraw/zinc/25/30/94/632253094.db2.gz ISDXIQFLTFJIHM-HNNXBMFYSA-N 1 0 280.368 0.483 20 10 CCCDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccccc1O)CC2 ZINC000897042644 632380658 /nfs/dbraw/zinc/38/06/58/632380658.db2.gz RXCAXZNMUVFXSP-CYBMUJFWSA-N 1 0 290.363 0.855 20 10 CCCDRO [NH3+]CCc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900599812 634050472 /nfs/dbraw/zinc/05/04/72/634050472.db2.gz BDWBBTHVRINKBW-UHFFFAOYSA-N 1 0 287.367 0.664 20 10 CCCDRO C[N@H+](CCCS(N)(=O)=O)Cc1ccccc1O ZINC000171937088 637151896 /nfs/dbraw/zinc/15/18/96/637151896.db2.gz QZFKAZLFTKYXRB-UHFFFAOYSA-N 1 0 258.343 0.503 20 10 CCCDRO Cc1cccc(CN2CC(OCC(=O)N(C)C)C2)c1O ZINC000839138281 640302524 /nfs/dbraw/zinc/30/25/24/640302524.db2.gz OTOHUCDOJLKYQW-UHFFFAOYSA-N 1 0 278.352 0.990 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1 ZINC000800890246 640624803 /nfs/dbraw/zinc/62/48/03/640624803.db2.gz BSYQJYSKTDDUPL-UHFFFAOYSA-N 1 0 284.381 0.870 20 10 CCCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)ccc1N(C)C ZINC000815078908 641089687 /nfs/dbraw/zinc/08/96/87/641089687.db2.gz JKGNZXYTEAOAOL-UONOGXRCSA-N 1 0 264.369 0.989 20 10 CCCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818967757 641370090 /nfs/dbraw/zinc/37/00/90/641370090.db2.gz ATDKYJZIBGLXEM-TZMCWYRMSA-N 1 0 291.395 0.859 20 10 CCCDRO OCC1(O)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000827147222 641984400 /nfs/dbraw/zinc/98/44/00/641984400.db2.gz OGMZBLRSFPBROE-UHFFFAOYSA-N 1 0 281.308 0.440 20 10 CCCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[NH2+]CCO1 ZINC000830597486 642274405 /nfs/dbraw/zinc/27/44/05/642274405.db2.gz LAHJBHVOLPBNCS-OAHLLOKOSA-N 1 0 290.363 0.876 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842153629 642877178 /nfs/dbraw/zinc/87/71/78/642877178.db2.gz OZOJXFNEDRGOIM-NSHDSACASA-N 1 0 292.383 0.141 20 10 CCCDRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000843069207 642986480 /nfs/dbraw/zinc/98/64/80/642986480.db2.gz PFLTYUODWSABEV-SNVBAGLBSA-N 1 0 266.297 0.280 20 10 CCCDRO Nc1ccc(CCNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000843341296 643034815 /nfs/dbraw/zinc/03/48/15/643034815.db2.gz AWYYRQFEEORRBZ-AWEZNQCLSA-N 1 0 277.368 0.696 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000852871493 644034558 /nfs/dbraw/zinc/03/45/58/644034558.db2.gz PQHKUVXFYHHEKB-UHFFFAOYSA-N 1 0 263.341 0.012 20 10 CCCDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1O ZINC000852882870 644041317 /nfs/dbraw/zinc/04/13/17/644041317.db2.gz BTCFDCZXSLHZLP-JQWIXIFHSA-N 1 0 250.298 0.372 20 10 CCCDRO Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)c(O)c1O ZINC000854465962 644208024 /nfs/dbraw/zinc/20/80/24/644208024.db2.gz VHOUVXBGBIJZJV-SECBINFHSA-N 1 0 268.313 0.059 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001019314331 650960412 /nfs/dbraw/zinc/96/04/12/650960412.db2.gz HZOKLAFIEZKZKW-LBPRGKRZSA-N 1 0 291.351 0.179 20 10 CCCDRO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988310 646074180 /nfs/dbraw/zinc/07/41/80/646074180.db2.gz MGRKBAYDPIWRRK-JOYOIKCWSA-N 1 0 250.298 0.558 20 10 CCCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)[C@@H](O)CO2 ZINC000872785710 646324413 /nfs/dbraw/zinc/32/44/13/646324413.db2.gz HRMFRAHDRVBSSU-WDMOLILDSA-N 1 0 277.320 0.896 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000876657758 646639402 /nfs/dbraw/zinc/63/94/02/646639402.db2.gz JQPZERPRTCEIQG-GFCCVEGCSA-N 1 0 250.298 0.387 20 10 CCCDRO C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)c1ccccc1O ZINC000877256796 646770877 /nfs/dbraw/zinc/77/08/77/646770877.db2.gz FFVSLYCTHVEFGP-HZMBPMFUSA-N 1 0 264.325 0.948 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(O)c1 ZINC000877464048 646817626 /nfs/dbraw/zinc/81/76/26/646817626.db2.gz IZLQACAYYOTLEU-NSHDSACASA-N 1 0 270.354 0.563 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1 ZINC000877584687 646825956 /nfs/dbraw/zinc/82/59/56/646825956.db2.gz INNONXCMLWBBEA-GFCCVEGCSA-N 1 0 262.313 0.443 20 10 CCCDRO Cc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877610609 646828419 /nfs/dbraw/zinc/82/84/19/646828419.db2.gz KCYCVEZJFAQFFY-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764475 646839665 /nfs/dbraw/zinc/83/96/65/646839665.db2.gz FRFGZCYFLWRCRF-BETUJISGSA-N 1 0 251.326 0.733 20 10 CCCDRO Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877765093 646840951 /nfs/dbraw/zinc/84/09/51/646840951.db2.gz TVZIVKGQVMRGJT-BETUJISGSA-N 1 0 251.326 0.733 20 10 CCCDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1O)C(=O)N(C)C ZINC000879649666 647089667 /nfs/dbraw/zinc/08/96/67/647089667.db2.gz SDMGTEBLEYZMGX-GHMZBOCLSA-N 1 0 293.367 0.636 20 10 CCCDRO c1nnc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000080602865 649556944 /nfs/dbraw/zinc/55/69/44/649556944.db2.gz LSLTWYHKUMTHML-UHFFFAOYSA-N 1 0 287.367 0.974 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CN1CCOCC1 ZINC000305175220 649842324 /nfs/dbraw/zinc/84/23/24/649842324.db2.gz AOUMUCLVBYDSTH-AWEZNQCLSA-N 1 0 280.368 0.517 20 10 CCCDRO COc1cccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c1O ZINC001277451907 805591787 /nfs/dbraw/zinc/59/17/87/805591787.db2.gz MVULUAVEUSEVFG-JTQLQIEISA-N 1 0 262.309 0.708 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)cc1O ZINC001231634465 805823570 /nfs/dbraw/zinc/82/35/70/805823570.db2.gz NKMKLOKGKOHREI-GJZGRUSLSA-N 1 0 297.351 0.672 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(O)cc1O ZINC001231633320 805822032 /nfs/dbraw/zinc/82/20/32/805822032.db2.gz LWRROAJTYDQOFB-HNNXBMFYSA-N 1 0 292.335 0.818 20 10 CCCDRO COc1cc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)cc1O ZINC001231641048 805825663 /nfs/dbraw/zinc/82/56/63/805825663.db2.gz YCCMQYHFYTUGRB-NSHDSACASA-N 1 0 264.325 0.996 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC001231849481 805863682 /nfs/dbraw/zinc/86/36/82/805863682.db2.gz UPYQAFWYOWXGFI-CQSZACIVSA-N 1 0 280.368 0.954 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)CO)cc1Cl ZINC001232268784 805917123 /nfs/dbraw/zinc/91/71/23/805917123.db2.gz VCBZVSFJTYENIY-VIFPVBQESA-N 1 0 275.732 0.839 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001232834060 805985584 /nfs/dbraw/zinc/98/55/84/805985584.db2.gz FSHRRDDFNHYDBS-WCQYABFASA-N 1 0 254.305 0.973 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1O ZINC001233482764 806058805 /nfs/dbraw/zinc/05/88/05/806058805.db2.gz BFHSTEOEASRRQT-UFBFGSQYSA-N 1 0 257.261 0.708 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(O)c(O)c(OC)c1 ZINC001236193277 806546777 /nfs/dbraw/zinc/54/67/77/806546777.db2.gz BDVSVIBCABZUFD-ZJUUUORDSA-N 1 0 296.323 0.181 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1OC ZINC001236750726 806606826 /nfs/dbraw/zinc/60/68/26/806606826.db2.gz XZMHRGWQLPUUHS-GWCFXTLKSA-N 1 0 297.351 0.585 20 10 CCCDRO [NH3+][C@H](CO)C(=O)NCCCSc1nccs1 ZINC001121955251 799107276 /nfs/dbraw/zinc/10/72/76/799107276.db2.gz KXQCVFIQMNYRIV-SSDOTTSWSA-N 1 0 261.372 0.061 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc(N)cc1 ZINC001122540399 799259015 /nfs/dbraw/zinc/25/90/15/799259015.db2.gz UDRQQHJVVXHYQF-RISCZKNCSA-N 1 0 274.368 0.273 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(F)c2O)CCN1C ZINC001138129780 799702440 /nfs/dbraw/zinc/70/24/40/799702440.db2.gz WBIPQZXHXJPYBR-LBPRGKRZSA-N 1 0 282.315 0.820 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001140744218 799938521 /nfs/dbraw/zinc/93/85/21/799938521.db2.gz PSWIKUXPZIFYEB-ZFWWWQNUSA-N 1 0 281.352 0.971 20 10 CCCDRO [NH3+]C1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001160924898 802047349 /nfs/dbraw/zinc/04/73/49/802047349.db2.gz RXKSWHOBTUOZQG-UHFFFAOYSA-N 1 0 262.309 0.864 20 10 CCCDRO CC1(C)NC(=O)Cc2cc(N(CC[NH3+])CCO)ccc21 ZINC001163836668 802622783 /nfs/dbraw/zinc/62/27/83/802622783.db2.gz ZDHQKLYELYRPPK-UHFFFAOYSA-N 1 0 277.368 0.351 20 10 CCCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204276251 803076179 /nfs/dbraw/zinc/07/61/79/803076179.db2.gz IJZWPJYEGNLPQY-AWEZNQCLSA-N 1 0 262.309 0.810 20 10 CCCDRO Cc1cc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205363980 803138565 /nfs/dbraw/zinc/13/85/65/803138565.db2.gz XPMKUYRLLXXNAS-ZYHUDNBSSA-N 1 0 256.733 0.858 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001206467821 803246918 /nfs/dbraw/zinc/24/69/18/803246918.db2.gz ALWYPTGMWCKIKQ-JOYOIKCWSA-N 1 0 256.733 0.797 20 10 CCCDRO C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923161 804447897 /nfs/dbraw/zinc/44/78/97/804447897.db2.gz DVAOPXHXLZKYQZ-YPMLDQLKSA-N 1 0 270.354 0.104 20 10 CCCDRO COC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000315100434 804582716 /nfs/dbraw/zinc/58/27/16/804582716.db2.gz HBLUXTSBIDTRGL-INIZCTEOSA-N 1 0 291.395 0.995 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)c(O)c1 ZINC001220826041 804675779 /nfs/dbraw/zinc/67/57/79/804675779.db2.gz YTBHHJPMWJNCDM-PWSUYJOCSA-N 1 0 263.341 0.314 20 10 CCCDRO C[N@@H+]1CCC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226466013 805236063 /nfs/dbraw/zinc/23/60/63/805236063.db2.gz ZCQNYMGLVRXKQG-ZCFIWIBFSA-N 1 0 271.269 0.688 20 10 CCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CN1 ZINC001246277600 807206164 /nfs/dbraw/zinc/20/61/64/807206164.db2.gz JBYCRXUAAGGRJJ-QWRGUYRKSA-N 1 0 280.324 0.481 20 10 CCCDRO CC(C)(C)[NH2+]C[C@@H](O)CNCC(=O)c1ccc(O)c(O)c1 ZINC001253407049 808061740 /nfs/dbraw/zinc/06/17/40/808061740.db2.gz CHPBUOCKJUDURC-NSHDSACASA-N 1 0 296.367 0.619 20 10 CCCDRO CN1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001255466262 808378612 /nfs/dbraw/zinc/37/86/12/808378612.db2.gz LZYJVQFBJZHIKY-SMDDNHRTSA-N 1 0 266.341 0.815 20 10 CCCDRO O=S1(=O)CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001256377223 808515742 /nfs/dbraw/zinc/51/57/42/808515742.db2.gz OYGXAGZBEADYMS-UHFFFAOYSA-N 1 0 285.365 0.807 20 10 CCCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156410 811819303 /nfs/dbraw/zinc/81/93/03/811819303.db2.gz WPLQZWGJSLJWGU-VIFPVBQESA-N 1 0 250.298 0.795 20 10 CCCDRO COc1cc(O)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1OC ZINC001236749551 817403437 /nfs/dbraw/zinc/40/34/37/817403437.db2.gz JVESOFJIKISQGT-ZYHUDNBSSA-N 1 0 283.324 0.194 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000703143274 819232483 /nfs/dbraw/zinc/23/24/83/819232483.db2.gz VTNYEZXZNZFEAW-CMPLNLGQSA-N 1 0 250.298 0.467 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000710756634 819836442 /nfs/dbraw/zinc/83/64/42/819836442.db2.gz ZPRSIPATYDRXQM-AWEZNQCLSA-N 1 0 264.325 0.729 20 10 CCCDRO COC[C@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144516101 840074580 /nfs/dbraw/zinc/07/45/80/840074580.db2.gz PKJZSIPSHJVIPY-VIFPVBQESA-N 1 0 269.297 0.651 20 10 CCCDRO C[NH+]1CCC(CO)(NC(=O)c2cccc(O)c2O)CC1 ZINC001148225850 840768660 /nfs/dbraw/zinc/76/86/60/840768660.db2.gz VGEJFBXOGQTKQX-UHFFFAOYSA-N 1 0 280.324 0.284 20 10 CCCDRO O=C(c1cc(O)c(O)c(O)c1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001148588671 840853318 /nfs/dbraw/zinc/85/33/18/840853318.db2.gz ZOAHKCOCNRDTDL-VIFPVBQESA-N 1 0 264.281 0.334 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148587282 840853931 /nfs/dbraw/zinc/85/39/31/840853931.db2.gz GQVAOWDLFZAXAJ-JTQLQIEISA-N 1 0 296.323 0.206 20 10 CCCDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589697 840856504 /nfs/dbraw/zinc/85/65/04/840856504.db2.gz HOIOLTRSILCGKQ-SSDOTTSWSA-N 1 0 254.286 0.483 20 10 CCCDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(O)c1O ZINC001193097705 845976576 /nfs/dbraw/zinc/97/65/76/845976576.db2.gz LMIBSCNEJGRDIO-PHIMTYICSA-N 1 0 292.335 0.740 20 10 CCCDRO N=c1cc(C[NH3+])ncn1C(=O)c1ccc(O)c(O)c1Cl ZINC001193237181 846031180 /nfs/dbraw/zinc/03/11/80/846031180.db2.gz ZOQGFACUNFMSQC-UHFFFAOYSA-N 1 0 294.698 0.574 20 10 CCCDRO CN1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001199811841 847444499 /nfs/dbraw/zinc/44/44/99/847444499.db2.gz DMDSUWHKMZCOEU-UHFFFAOYSA-N 1 0 289.379 0.485 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)[C@@H](C)O)c1 ZINC000717289927 848217903 /nfs/dbraw/zinc/21/79/03/848217903.db2.gz ZFONIUDLZMXOND-RWEMILLDSA-N 1 0 255.314 0.793 20 10 CCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001275821204 848835890 /nfs/dbraw/zinc/83/58/90/848835890.db2.gz JMYBHPJGTIPRIV-OKILXGFUSA-N 1 0 291.395 0.918 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)C[NH3+] ZINC000037807439 849256363 /nfs/dbraw/zinc/25/63/63/849256363.db2.gz AJGVWCZILFWQEP-UHFFFAOYSA-N 1 0 292.383 0.176 20 10 CCCDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1c(O)cccc1F ZINC001341768699 892600406 /nfs/dbraw/zinc/60/04/06/892600406.db2.gz VPEINQGCJWLQSY-VIFPVBQESA-N 1 0 268.288 0.526 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000697290678 894315981 /nfs/dbraw/zinc/31/59/81/894315981.db2.gz SEQABMQLIMKKCD-YPMHNXCESA-N 1 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OLIWVAXDTSRIFM-JTQLQIEISA-N 1 0 291.351 0.206 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001341613538 922581132 /nfs/dbraw/zinc/58/11/32/922581132.db2.gz IBNCUVKNJBDQDT-HOCLYGCPSA-N 1 0 291.395 0.790 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)cc1 ZINC001341798500 922679595 /nfs/dbraw/zinc/67/95/95/922679595.db2.gz QAURLDIUUDLPMZ-ZBFHGGJFSA-N 1 0 291.395 0.824 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCOCCCO)c1 ZINC001343324222 923273118 /nfs/dbraw/zinc/27/31/18/923273118.db2.gz UAAHKLDUVQPUSD-UHFFFAOYSA-N 1 0 255.314 0.889 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC001343431702 923312280 /nfs/dbraw/zinc/31/22/80/923312280.db2.gz MVOHWUFJSBXPJG-IUODEOHRSA-N 1 0 293.411 0.894 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(N)cc1 ZINC001345160418 923816638 /nfs/dbraw/zinc/81/66/38/923816638.db2.gz VMRPPHCMTLTWRM-ZDUSSCGKSA-N 1 0 263.341 0.606 20 10 CCCDRO C[NH2+]CCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351984228 925500927 /nfs/dbraw/zinc/50/09/27/925500927.db2.gz WMGNDYHOSSIFFT-UHFFFAOYSA-N 1 0 291.351 0.302 20 10 CCCDRO CCC[NH2+]CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001353303251 925787865 /nfs/dbraw/zinc/78/78/65/925787865.db2.gz OYGAZXZNMDFEQP-UHFFFAOYSA-N 1 0 291.351 0.350 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC001356227180 926357145 /nfs/dbraw/zinc/35/71/45/926357145.db2.gz GCCBWYGYZIVVBL-BXKDBHETSA-N 1 0 251.330 0.101 20 10 CCCDRO CCCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000093483813 349544379 /nfs/dbraw/zinc/54/43/79/349544379.db2.gz DHOYTFUORPLGIB-OKILXGFUSA-N 1 0 267.325 0.718 20 10 CCCDRO CSCC[C@@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1 ZINC000147462371 350469283 /nfs/dbraw/zinc/46/92/83/350469283.db2.gz FCVJLZZVWXRNCW-SNVBAGLBSA-N 1 0 284.381 0.837 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000187181618 351532768 /nfs/dbraw/zinc/53/27/68/351532768.db2.gz PRDSZRLLSPRXNA-QMMMGPOBSA-N 1 0 276.333 0.731 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(F)ccc1O ZINC000187570036 351547580 /nfs/dbraw/zinc/54/75/80/351547580.db2.gz HZWJSEMRARRVPL-GHMZBOCLSA-N 1 0 269.272 0.640 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000190305064 351717179 /nfs/dbraw/zinc/71/71/79/351717179.db2.gz LLWKIHLCUPNWHC-UHFFFAOYSA-N 1 0 258.343 0.339 20 10 CCCDRO OCCC[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000271180850 353030029 /nfs/dbraw/zinc/03/00/29/353030029.db2.gz LXJURKYXHRJUBE-UHFFFAOYSA-N 1 0 269.297 0.298 20 10 CCCDRO CNC(=O)CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272867012 353101728 /nfs/dbraw/zinc/10/17/28/353101728.db2.gz TVZTVQXUMRJMMS-UHFFFAOYSA-N 1 0 292.383 0.047 20 10 CCCDRO COC[C@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000219136694 389137355 /nfs/dbraw/zinc/13/73/55/389137355.db2.gz QYZKBXPUCCVBDG-JTQLQIEISA-N 1 0 269.297 0.608 20 10 CCCDRO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000360342779 389196369 /nfs/dbraw/zinc/19/63/69/389196369.db2.gz KIWLRCIODYVEAT-LLVKDONJSA-N 1 0 270.354 0.645 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCC(=O)N2CCOCC2)c1 ZINC000135757690 389261673 /nfs/dbraw/zinc/26/16/73/389261673.db2.gz WXJQBGFRMPQOLJ-UHFFFAOYSA-N 1 0 294.351 0.739 20 10 CCCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000133608252 389237136 /nfs/dbraw/zinc/23/71/36/389237136.db2.gz JPIBSZDSDIEXJP-SNVBAGLBSA-N 1 0 278.308 0.831 20 10 CCCDRO CNC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000182456019 389708954 /nfs/dbraw/zinc/70/89/54/389708954.db2.gz RVBNDJSTNDCKHE-ZDUSSCGKSA-N 1 0 264.325 0.647 20 10 CCCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)CN1CCOCC1 ZINC000180184733 389667183 /nfs/dbraw/zinc/66/71/83/389667183.db2.gz JAQJRJXXBSHYGN-CQSZACIVSA-N 1 0 298.358 0.656 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@@H]2COCCN2)c(O)c1 ZINC000530182723 390875900 /nfs/dbraw/zinc/87/59/00/390875900.db2.gz YQFQCPYJPKANHN-GFCCVEGCSA-N 1 0 266.341 0.869 20 10 CCCDRO COC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000181972712 261917351 /nfs/dbraw/zinc/91/73/51/261917351.db2.gz BJQLRZRULHPPGS-INIZCTEOSA-N 1 0 294.395 0.962 20 10 CCCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(F)ccc1O ZINC000185200966 262046318 /nfs/dbraw/zinc/04/63/18/262046318.db2.gz VERGMEDFWCOINW-MRVPVSSYSA-N 1 0 281.287 0.734 20 10 CCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CN(C)CCO1 ZINC000274229280 328209962 /nfs/dbraw/zinc/20/99/62/328209962.db2.gz RRFRERWFEKLSFY-QMTHXVAHSA-N 1 0 294.351 0.476 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000040825877 522203359 /nfs/dbraw/zinc/20/33/59/522203359.db2.gz ZPAZGBAUDMWXKY-CHWSQXEVSA-N 1 0 263.341 0.092 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290029208 523502117 /nfs/dbraw/zinc/50/21/17/523502117.db2.gz RQYHUBCJVPDCGT-AWEZNQCLSA-N 1 0 277.368 0.659 20 10 CCCDRO C[C@H](CN1CCOCC1)NC(=O)Cc1ccc(N)cc1 ZINC000037008685 524351637 /nfs/dbraw/zinc/35/16/37/524351637.db2.gz ISQJEGWEOCEMKA-GFCCVEGCSA-N 1 0 277.368 0.648 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000157172353 525950412 /nfs/dbraw/zinc/95/04/12/525950412.db2.gz CTRPEGFNLQCSSS-JTQLQIEISA-N 1 0 250.298 0.708 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)C1CC1)OCO2 ZINC000071303223 526336820 /nfs/dbraw/zinc/33/68/20/526336820.db2.gz JJBWKWNVZHSMDT-LLVKDONJSA-N 1 0 251.282 0.981 20 10 CCCDRO COc1c(O)c(C[NH2+]CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000774942677 582004188 /nfs/dbraw/zinc/00/41/88/582004188.db2.gz RHUGRXLGBNYQRL-UHFFFAOYSA-N 1 0 297.311 0.923 20 10 CCCDRO COc1cc(C)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000894033191 617175480 /nfs/dbraw/zinc/17/54/80/617175480.db2.gz CYNMZACURCDHKG-PHIMTYICSA-N 1 0 253.298 0.247 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@H]2COC[C@@H]2O)cc1OC ZINC000877667478 617207740 /nfs/dbraw/zinc/20/77/40/617207740.db2.gz HWTFQDSLLJGTRB-KOLCDFICSA-N 1 0 269.297 0.259 20 10 CCCDRO COc1ccc(C[N@H+](C)CCC(N)=O)c(O)c1OC ZINC000894431553 617247855 /nfs/dbraw/zinc/24/78/55/617247855.db2.gz HDRCBXKRIPEXBU-UHFFFAOYSA-N 1 0 268.313 0.717 20 10 CCCDRO COc1ccc(CN2CC[NH+](CCO)CC2)c(O)c1OC ZINC000891390596 617250141 /nfs/dbraw/zinc/25/01/41/617250141.db2.gz OAWFFFHBLXLAAJ-UHFFFAOYSA-N 1 0 296.367 0.519 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1OC ZINC000894937875 617251355 /nfs/dbraw/zinc/25/13/55/617251355.db2.gz UHOKGDLOTYBKOI-NWDGAFQWSA-N 1 0 297.351 0.585 20 10 CCCDRO COc1ccc(CNC(=O)NCCOCCC[NH3+])c(O)c1 ZINC000861692776 617254565 /nfs/dbraw/zinc/25/45/65/617254565.db2.gz JUPUZRBEPCMCOQ-UHFFFAOYSA-N 1 0 297.355 0.565 20 10 CCCDRO COc1ccc(C[NH2+][C@]2(C)CCNC2=O)c(O)c1OC ZINC000897867689 617260289 /nfs/dbraw/zinc/26/02/89/617260289.db2.gz ZAKBAIOICLKCKS-CQSZACIVSA-N 1 0 280.324 0.778 20 10 CCCDRO COc1ccc(N2CCC(NC(=O)NCC[NH3+])CC2)cc1 ZINC000841778786 617267669 /nfs/dbraw/zinc/26/76/69/617267669.db2.gz HKDADLJCJJZZTH-UHFFFAOYSA-N 1 0 292.383 0.922 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)CO)CC2)cc1 ZINC000812844898 617267713 /nfs/dbraw/zinc/26/77/13/617267713.db2.gz MTJXPCOSRXFLDV-INIZCTEOSA-N 1 0 294.395 0.997 20 10 CCCDRO COc1ccc(N2CCN(C(=O)C[NH3+])CC2)c(OC)c1 ZINC000007275276 617267724 /nfs/dbraw/zinc/26/77/24/617267724.db2.gz KFFWNLOAHARYJV-UHFFFAOYSA-N 1 0 279.340 0.311 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)cc1 ZINC000019514116 617267737 /nfs/dbraw/zinc/26/77/37/617267737.db2.gz MCRWZJYQHSKUMZ-LLVKDONJSA-N 1 0 263.341 0.691 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[NH3+])C2)cc1 ZINC000818656461 617267936 /nfs/dbraw/zinc/26/79/36/617267936.db2.gz UOXZEWLJJKFYDO-LBPRGKRZSA-N 1 0 292.383 0.779 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)cc1 ZINC000851714728 617268001 /nfs/dbraw/zinc/26/80/01/617268001.db2.gz UUBZOCHFDFZLRN-CYBMUJFWSA-N 1 0 289.379 0.953 20 10 CCCDRO COc1ccc(N2CC[C@H](N[C@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925711906 617268251 /nfs/dbraw/zinc/26/82/51/617268251.db2.gz FTRIQTGWGAEQIE-KBPBESRZSA-N 1 0 291.395 0.852 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)C[NH2+]CCO2)c1 ZINC000876878680 617274082 /nfs/dbraw/zinc/27/40/82/617274082.db2.gz JCDASEZFWCODIK-MEBBXXQBSA-N 1 0 294.351 0.957 20 10 CCCDRO CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286383 613952326 /nfs/dbraw/zinc/95/23/26/613952326.db2.gz ZCBGUICLQHTCAC-HZMBPMFUSA-N 1 0 292.383 0.393 20 10 CCCDRO CCOc1ccc(C[NH2+]CC(=O)N(C)OC)c(O)c1 ZINC000895040686 615510834 /nfs/dbraw/zinc/51/08/34/615510834.db2.gz CQWGJVQGYAXJMS-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccccc1O ZINC000827157613 615894423 /nfs/dbraw/zinc/89/44/23/615894423.db2.gz FADNYKBTPDMVSZ-UHFFFAOYSA-N 1 0 279.384 0.844 20 10 CCCDRO C[NH+](C)CCN1CCN(C(=O)C2=CC(=O)CS2)CC1=O ZINC000846658454 615898593 /nfs/dbraw/zinc/89/85/93/615898593.db2.gz DGNWKFATGRNVQB-UHFFFAOYSA-N 1 0 297.380 0.300 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852855687 616014325 /nfs/dbraw/zinc/01/43/25/616014325.db2.gz MSEFQQCNIYENRP-LBPRGKRZSA-N 1 0 276.340 0.472 20 10 CCCDRO CN(C)c1ccc(CNC(=O)COC2(C)C[NH2+]C2)cc1F ZINC000844177837 616014769 /nfs/dbraw/zinc/01/47/69/616014769.db2.gz HRJVIJIZDDBYPZ-UHFFFAOYSA-N 1 0 295.358 0.886 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH+]ccc2N)cc1 ZINC000841846268 616019701 /nfs/dbraw/zinc/01/97/01/616019701.db2.gz OBXQWWAAASUMBT-OAHLLOKOSA-N 1 0 299.378 0.990 20 10 CCCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000861514422 616195819 /nfs/dbraw/zinc/19/58/19/616195819.db2.gz NQQCPKNFXACFID-GFCCVEGCSA-N 1 0 276.340 0.418 20 10 CCCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901130546 616202044 /nfs/dbraw/zinc/20/20/44/616202044.db2.gz CVQKXXRXVJCWHY-OAHLLOKOSA-N 1 0 294.351 0.561 20 10 CCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccccc1O ZINC000922536216 616250454 /nfs/dbraw/zinc/25/04/54/616250454.db2.gz RVSXUMDEOYUMKH-CQSZACIVSA-N 1 0 266.341 0.175 20 10 CCCDRO CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903276801 616250619 /nfs/dbraw/zinc/25/06/19/616250619.db2.gz CCRVYKACEXWHPP-CZUORRHYSA-N 1 0 292.379 0.662 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000901123948 616319263 /nfs/dbraw/zinc/31/92/63/616319263.db2.gz UDPTXGQOTJIBPN-NHYWBVRUSA-N 1 0 294.351 0.212 20 10 CCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(OC)ccc1O ZINC000843122838 616692494 /nfs/dbraw/zinc/69/24/94/616692494.db2.gz FKJZESIZGYEXBO-CYBMUJFWSA-N 1 0 294.351 0.738 20 10 CCCDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650982 616695332 /nfs/dbraw/zinc/69/53/32/616695332.db2.gz BQPDVIOEFZYWCT-VIFPVBQESA-N 1 0 265.313 0.889 20 10 CCCDRO CNC(=O)NC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349888 616704902 /nfs/dbraw/zinc/70/49/02/616704902.db2.gz LSLSDBAQFUFJJK-SNVBAGLBSA-N 1 0 290.367 0.742 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843435524 616707197 /nfs/dbraw/zinc/70/71/97/616707197.db2.gz VNXBUSYBTWVGHF-NWDGAFQWSA-N 1 0 295.335 0.757 20 10 CCCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893256100 616907337 /nfs/dbraw/zinc/90/73/37/616907337.db2.gz DNBHSNNNEYPPTN-NSHDSACASA-N 1 0 285.340 0.896 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000863545467 616918439 /nfs/dbraw/zinc/91/84/39/616918439.db2.gz SKKGPPJFYVJZBA-CMPLNLGQSA-N 1 0 294.351 0.818 20 10 CCCDRO C[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656058 616961691 /nfs/dbraw/zinc/96/16/91/616961691.db2.gz VFCMEDLUAVBZEJ-UHFFFAOYSA-N 1 0 250.346 0.771 20 10 CCCDRO C[NH2+]C[C@](C)(O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000846221147 617001425 /nfs/dbraw/zinc/00/14/25/617001425.db2.gz HKXBTGTXPNXKBZ-INIZCTEOSA-N 1 0 293.411 0.788 20 10 CCCDRO COC[C@@]1(C(=O)N(C)c2ccc(N)cc2)CC[NH2+]C1 ZINC000877075799 617032207 /nfs/dbraw/zinc/03/22/07/617032207.db2.gz HYCOOUGVVHYJNL-CQSZACIVSA-N 1 0 263.341 0.858 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccccc1O ZINC000870988420 617082794 /nfs/dbraw/zinc/08/27/94/617082794.db2.gz OWGKKSKQPCSHHE-ZJUUUORDSA-N 1 0 252.314 0.933 20 10 CCCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877074162 617112115 /nfs/dbraw/zinc/11/21/15/617112115.db2.gz ALZHSXMYBILWPQ-TZMCWYRMSA-N 1 0 263.341 0.999 20 10 CCCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1(O)CCC1 ZINC000905087510 634791263 /nfs/dbraw/zinc/79/12/63/634791263.db2.gz FTSDJZPHPAWYSS-AWEZNQCLSA-N 1 0 263.337 0.987 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946758 632178254 /nfs/dbraw/zinc/17/82/54/632178254.db2.gz VHSGJSDACCRTMD-KOLCDFICSA-N 1 0 250.298 0.121 20 10 CCCDRO Cn1nnnc1CCC[NH2+]Cc1cc(F)ccc1O ZINC000898040773 633272780 /nfs/dbraw/zinc/27/27/80/633272780.db2.gz ZUVZCLLPEPCHRC-UHFFFAOYSA-N 1 0 265.292 0.777 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(F)ccc1O ZINC000927021240 633576846 /nfs/dbraw/zinc/57/68/46/633576846.db2.gz BJZYIDWYUFNSMA-WCBMZHEXSA-N 1 0 291.344 0.587 20 10 CCCDRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927031468 633579576 /nfs/dbraw/zinc/57/95/76/633579576.db2.gz OFIPSFKHQVQNTF-UWVGGRQHSA-N 1 0 273.354 0.448 20 10 CCCDRO O=C(NCc1ccc(O)cc1O)C12CC[NH+](CC1)C2 ZINC000910943760 635862785 /nfs/dbraw/zinc/86/27/85/635862785.db2.gz OJEYUOJUQGTJMM-UHFFFAOYSA-N 1 0 262.309 0.810 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000226648299 636994098 /nfs/dbraw/zinc/99/40/98/636994098.db2.gz ISOJUKLFNJKLGX-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO [NH3+]CCN(CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000923331868 640092517 /nfs/dbraw/zinc/09/25/17/640092517.db2.gz PBXUKWRFXPDJKS-UHFFFAOYSA-N 1 0 279.384 0.276 20 10 CCCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1C ZINC000839180846 640305696 /nfs/dbraw/zinc/30/56/96/640305696.db2.gz SNAGKNCSCUYIGK-CYBMUJFWSA-N 1 0 276.340 0.751 20 10 CCCDRO Nc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000832250406 642465844 /nfs/dbraw/zinc/46/58/44/642465844.db2.gz PSULIPZMJAUNKV-LBPRGKRZSA-N 1 0 286.339 0.865 20 10 CCCDRO C[C@H](NC(=O)C(=O)NCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000842202260 642882240 /nfs/dbraw/zinc/88/22/40/642882240.db2.gz HDWJNTNCPHIROV-NSHDSACASA-N 1 0 292.383 0.395 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865738682 645406199 /nfs/dbraw/zinc/40/61/99/645406199.db2.gz JEHIWPDTOMGKEB-NOZJJQNGSA-N 1 0 256.321 0.723 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000876546629 646624264 /nfs/dbraw/zinc/62/42/64/646624264.db2.gz NWWPVBKWUZHVID-UHFFFAOYSA-N 1 0 291.395 0.906 20 10 CCCDRO Nc1ccc(CC(=O)NCCOCCC[NH3+])cc1 ZINC000877049255 646722583 /nfs/dbraw/zinc/72/25/83/646722583.db2.gz SAPNUDHNGPPNFN-UHFFFAOYSA-N 1 0 251.330 0.293 20 10 CCCDRO C[C@]12C[N@H+](Cc3ccccc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877667888 646833853 /nfs/dbraw/zinc/83/38/53/646833853.db2.gz COFHAOFZRGKWNP-GASCZTMLSA-N 1 0 274.320 0.877 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000877662555 646833976 /nfs/dbraw/zinc/83/39/76/646833976.db2.gz VFPZOHXQMZMOJM-LBPRGKRZSA-N 1 0 250.342 0.857 20 10 CCCDRO Cn1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(=O)n(C)c1=O ZINC000877704062 646835755 /nfs/dbraw/zinc/83/57/55/646835755.db2.gz YRLQLXJZCVAFJB-UHFFFAOYSA-N 1 0 287.319 0.305 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1O ZINC000879652588 647090319 /nfs/dbraw/zinc/09/03/19/647090319.db2.gz GCGCGGJRYNENAS-JTQLQIEISA-N 1 0 277.324 0.001 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883196918 647499404 /nfs/dbraw/zinc/49/94/04/647499404.db2.gz YPHXXCJYALOSIS-WBMJQRKESA-N 1 0 294.395 0.479 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1 ZINC000090023733 649666351 /nfs/dbraw/zinc/66/63/51/649666351.db2.gz SVAXTFRWVRERSJ-LLVKDONJSA-N 1 0 278.308 0.638 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)cc1O ZINC001231634319 805821893 /nfs/dbraw/zinc/82/18/93/805821893.db2.gz LEOBKWXHOPKGEH-ZANVPECISA-N 1 0 283.324 0.282 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)C[C@H](O)CO ZINC001232257536 805914586 /nfs/dbraw/zinc/91/45/86/805914586.db2.gz GYWMTRIZRJUYQB-QMMMGPOBSA-N 1 0 261.705 0.536 20 10 CCCDRO CC[N@H+](CCN1CCOCC1)Cc1cc(O)c(O)c(O)c1 ZINC001233016680 806008781 /nfs/dbraw/zinc/00/87/81/806008781.db2.gz JSIMDAIBIOBLEA-UHFFFAOYSA-N 1 0 296.367 0.958 20 10 CCCDRO OC[C@]1(F)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483018 806059222 /nfs/dbraw/zinc/05/92/22/806059222.db2.gz LHHMPCRHWQCBSO-LBPRGKRZSA-N 1 0 257.261 0.710 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc1O ZINC001233483265 806060096 /nfs/dbraw/zinc/06/00/96/806060096.db2.gz SSSJCPVIASSUDE-LLVKDONJSA-N 1 0 295.335 0.919 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(C)cc(OC)cc2O)C[C@H]1[NH3+] ZINC001236352143 806582327 /nfs/dbraw/zinc/58/23/27/806582327.db2.gz MLABIQDWPNLMSX-QWHCGFSZSA-N 1 0 294.351 0.641 20 10 CCCDRO O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(O)cc1O ZINC001237598381 806692368 /nfs/dbraw/zinc/69/23/68/806692368.db2.gz DUNCJSTYRNCQBT-UHFFFAOYSA-N 1 0 286.353 0.839 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621198 799926939 /nfs/dbraw/zinc/92/69/39/799926939.db2.gz QNKHQERUOHHWRX-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO [NH3+]CCN(C(=O)C=Cc1c[nH]cn1)c1cccnc1 ZINC001142276310 800107996 /nfs/dbraw/zinc/10/79/96/800107996.db2.gz LHFQMVHCJGKQCP-ONEGZZNKSA-N 1 0 257.297 0.810 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1C(=O)Cc1ccc(N)cc1 ZINC001160838426 802027160 /nfs/dbraw/zinc/02/71/60/802027160.db2.gz ISLSXWKJFJKPTP-CQSZACIVSA-N 1 0 277.368 0.600 20 10 CCCDRO N[C@@]1(C(=O)N2CCc3cccc(O)c3C2)CCC[NH2+]C1 ZINC001160871948 802037202 /nfs/dbraw/zinc/03/72/02/802037202.db2.gz BXPVGDCNIUPQKV-HNNXBMFYSA-N 1 0 275.352 0.358 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001203602232 803037147 /nfs/dbraw/zinc/03/71/47/803037147.db2.gz KIVKWXCCMVUACK-OLZOCXBDSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1 ZINC001203629018 803039027 /nfs/dbraw/zinc/03/90/27/803039027.db2.gz OCGKBBZRICKNPR-GWCFXTLKSA-N 1 0 276.336 0.969 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccc(O)c(O)c1 ZINC001203879953 803050889 /nfs/dbraw/zinc/05/08/89/803050889.db2.gz KRYPVGISIIGBHO-GFCCVEGCSA-N 1 0 266.341 0.860 20 10 CCCDRO CNC(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277846 803075928 /nfs/dbraw/zinc/07/59/28/803075928.db2.gz MDAJJNOJJRPGFI-UHFFFAOYSA-N 1 0 279.340 0.991 20 10 CCCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205357620 803136482 /nfs/dbraw/zinc/13/64/82/803136482.db2.gz DNZPNTKBSVALMO-UKRRQHHQSA-N 1 0 279.384 0.742 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001205363076 803137055 /nfs/dbraw/zinc/13/70/55/803137055.db2.gz DTCACMFQCZJIMI-NXEZZACHSA-N 1 0 276.258 0.915 20 10 CCCDRO O=C(C=C1CC[NH2+]CC1)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490193 804613301 /nfs/dbraw/zinc/61/33/01/804613301.db2.gz WTYQROXOTITTLE-UHFFFAOYSA-N 1 0 290.319 0.707 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)c(O)c1 ZINC001220825770 804675692 /nfs/dbraw/zinc/67/56/92/804675692.db2.gz QEXPXNFPTWGOPL-FPMFFAJLSA-N 1 0 289.379 0.575 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001221368218 804790427 /nfs/dbraw/zinc/79/04/27/804790427.db2.gz ZBTUMMCHOIYZNW-VXGBXAGGSA-N 1 0 251.305 0.628 20 10 CCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)CN1 ZINC001246315631 807219450 /nfs/dbraw/zinc/21/94/50/807219450.db2.gz JODPFOGUOXIRHD-MNOVXSKESA-N 1 0 280.324 0.481 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1 ZINC001246346546 807228897 /nfs/dbraw/zinc/22/88/97/807228897.db2.gz NNGNQXOMNUPBBY-OLZOCXBDSA-N 1 0 278.352 0.997 20 10 CCCDRO CC(C)(C)OC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253438525 808066632 /nfs/dbraw/zinc/06/66/32/808066632.db2.gz UWDQBFJXMPKKAB-BXUZGUMPSA-N 1 0 299.367 0.897 20 10 CCCDRO Nc1ccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1 ZINC001262487980 809318911 /nfs/dbraw/zinc/31/89/11/809318911.db2.gz MGBZKTIQABILJT-ZDUSSCGKSA-N 1 0 283.397 0.135 20 10 CCCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141159835 811822249 /nfs/dbraw/zinc/82/22/49/811822249.db2.gz MFYVVUFZDOIIPK-CABZTGNLSA-N 1 0 262.309 0.666 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)cc1O ZINC001236298564 817252503 /nfs/dbraw/zinc/25/25/03/817252503.db2.gz WQRSOPPZKQLFGA-UWVGGRQHSA-N 1 0 250.298 0.510 20 10 CCCDRO COc1cccc(C[NH2+]C[C@](C)(CO)OC)c1O ZINC000702515228 819136237 /nfs/dbraw/zinc/13/62/37/819136237.db2.gz OTOFCUAACLOPCP-CYBMUJFWSA-N 1 0 255.314 0.888 20 10 CCCDRO CN1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1=O ZINC000704377153 819376847 /nfs/dbraw/zinc/37/68/47/819376847.db2.gz MYTORZYWFOVKQM-JTQLQIEISA-N 1 0 278.308 0.831 20 10 CCCDRO CCOC(=O)c1cc(N(CC[NH3+])CCO)cc2c1OCC2 ZINC001163836650 820382761 /nfs/dbraw/zinc/38/27/61/820382761.db2.gz YPLGDSDXHWUOAB-UHFFFAOYSA-N 1 0 294.351 0.556 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)NCCO2 ZINC001170993849 839674484 /nfs/dbraw/zinc/67/44/84/839674484.db2.gz BNADUTWKGOYYMI-UHFFFAOYSA-N 1 0 279.340 0.819 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C(N)=[NH2+] ZINC001144137876 839950817 /nfs/dbraw/zinc/95/08/17/839950817.db2.gz YCSHIKZHFIISMM-UHFFFAOYSA-N 1 0 291.399 0.926 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1O ZINC001144504555 840069425 /nfs/dbraw/zinc/06/94/25/840069425.db2.gz UYKFCBSRUCLBND-UONOGXRCSA-N 1 0 283.324 0.369 20 10 CCCDRO Cc1c(CN2C[C@@H]([NH3+])[C@H](O)C2)c2ccccc2n1C ZINC001205353169 844550253 /nfs/dbraw/zinc/55/02/53/844550253.db2.gz VYNZLMXHJJXFBG-UKRRQHHQSA-N 1 0 259.353 0.991 20 10 CCCDRO CN1CC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000712532877 841106671 /nfs/dbraw/zinc/10/66/71/841106671.db2.gz DGGQSYHLMXVXOA-JTQLQIEISA-N 1 0 250.298 0.915 20 10 CCCDRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccccc2O)C1(F)F ZINC000715158180 841273618 /nfs/dbraw/zinc/27/36/18/841273618.db2.gz PHUULRTWKCXEEP-PSASIEDQSA-N 1 0 256.252 0.848 20 10 CCCDRO C[C@@H](C(=O)NCCc1cc(O)c(O)cc1O)[NH+]1CCCC1 ZINC001180583079 843217483 /nfs/dbraw/zinc/21/74/83/843217483.db2.gz VJEWPOMCTJRFJQ-JTQLQIEISA-N 1 0 294.351 0.946 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206456421 843548718 /nfs/dbraw/zinc/54/87/18/843548718.db2.gz NOECSJRNEFJPQY-OLZOCXBDSA-N 1 0 296.342 0.979 20 10 CCCDRO C[NH+](C)C1CN(C(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182153929 843738235 /nfs/dbraw/zinc/73/82/35/843738235.db2.gz QIDIBSSDAAZPNY-UHFFFAOYSA-N 1 0 264.325 0.803 20 10 CCCDRO COc1cc(C)c(C[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1 ZINC001182239073 843758058 /nfs/dbraw/zinc/75/80/58/843758058.db2.gz TYZMDXQRUBYUPH-LLVKDONJSA-N 1 0 292.339 0.451 20 10 CCCDRO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]2[NH3+])cn1 ZINC001118168226 856184742 /nfs/dbraw/zinc/18/47/42/856184742.db2.gz VLOMVKVABIHPCN-LSDHHAIUSA-N 1 0 299.378 0.498 20 10 CCCDRO Nc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC001337070293 921177631 /nfs/dbraw/zinc/17/76/31/921177631.db2.gz MCLHLYKCDGAAKC-UHFFFAOYSA-N 1 0 260.341 0.902 20 10 CCCDRO Nc1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC001335557038 906918562 /nfs/dbraw/zinc/91/85/62/906918562.db2.gz ZRWBNHWVIFEYML-UHFFFAOYSA-N 1 0 260.341 0.988 20 10 CCCDRO COc1cccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC001335379477 920157629 /nfs/dbraw/zinc/15/76/29/920157629.db2.gz AAOODBMRTOXKDS-UHFFFAOYSA-N 1 0 290.323 0.645 20 10 CCCDRO Nc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC001335677607 920363446 /nfs/dbraw/zinc/36/34/46/920363446.db2.gz JOBOMCGSTHVCBQ-LBPRGKRZSA-N 1 0 264.329 0.056 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])C(C)(C)O)cc1 ZINC001340943630 922287363 /nfs/dbraw/zinc/28/73/63/922287363.db2.gz IBDDORIPSJGXHQ-CYBMUJFWSA-N 1 0 279.384 0.809 20 10 CCCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001341846663 922693471 /nfs/dbraw/zinc/69/34/71/922693471.db2.gz NYGRGVJERRWIDP-CQSZACIVSA-N 1 0 292.379 0.985 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001343407508 923302376 /nfs/dbraw/zinc/30/23/76/923302376.db2.gz DNBPOXSNCXZWKQ-YGRLFVJLSA-N 1 0 297.374 0.724 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)C2(C[NH3+])CC(O)C2)cc1 ZINC001353666309 925899737 /nfs/dbraw/zinc/89/97/37/925899737.db2.gz NNKFQFLNEYHAMY-UHFFFAOYSA-N 1 0 291.395 0.811 20 10 CCCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001357667329 926581319 /nfs/dbraw/zinc/58/13/19/926581319.db2.gz CYUSVQBXHHUIML-AWEZNQCLSA-N 1 0 292.383 0.789 20 10 CCCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1O ZINC000295131890 199361708 /nfs/dbraw/zinc/36/17/08/199361708.db2.gz YEAQEYDFIZBPKN-LLVKDONJSA-N 1 0 272.370 0.810 20 10 CCCDRO CS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037740998 348200272 /nfs/dbraw/zinc/20/02/72/348200272.db2.gz MBYKNACQGCLQSA-UHFFFAOYSA-N 1 0 255.339 0.756 20 10 CCCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O ZINC000295172836 199386846 /nfs/dbraw/zinc/38/68/46/199386846.db2.gz FSTWXJKBGWRZBQ-ZDUSSCGKSA-N 1 0 286.303 0.279 20 10 CCCDRO CS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000282024978 353392378 /nfs/dbraw/zinc/39/23/78/353392378.db2.gz WFBFPZNODDZWFK-JTQLQIEISA-N 1 0 299.348 0.740 20 10 CCCDRO CC[NH+]1CCN(CCNC(=O)c2cccc(O)c2O)CC1 ZINC000288005794 353681672 /nfs/dbraw/zinc/68/16/72/353681672.db2.gz KZHTYVNKMALASP-UHFFFAOYSA-N 1 0 293.367 0.465 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1OC ZINC000364322813 357108905 /nfs/dbraw/zinc/10/89/05/357108905.db2.gz HALBRMOZXVWXFY-WDEREUQCSA-N 1 0 283.324 0.337 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000232116855 389161174 /nfs/dbraw/zinc/16/11/74/389161174.db2.gz FBGBSVXPOBTERO-LLVKDONJSA-N 1 0 252.314 0.714 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@H]2COCC[NH2+]2)c1O ZINC000529377957 390823492 /nfs/dbraw/zinc/82/34/92/390823492.db2.gz VRTMOXYUFYUASP-NSHDSACASA-N 1 0 295.339 0.188 20 10 CCCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000370398450 267316234 /nfs/dbraw/zinc/31/62/34/267316234.db2.gz QAMMVJZHKOBJPU-JKSUJKDBSA-N 1 0 292.379 0.451 20 10 CCCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093899580 327146154 /nfs/dbraw/zinc/14/61/54/327146154.db2.gz ZVPQMFOAHWEKNR-SECBINFHSA-N 1 0 280.324 0.935 20 10 CCCDRO CCN(CC)c1ccc(C[NH2+]C(CO)CO)cc1 ZINC000087749329 520905965 /nfs/dbraw/zinc/90/59/65/520905965.db2.gz GLDZSWSVHBORGS-UHFFFAOYSA-N 1 0 252.358 0.976 20 10 CCCDRO CCOc1cccc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1O ZINC000289614844 521333391 /nfs/dbraw/zinc/33/33/91/521333391.db2.gz LIIGBDSUUBOACF-VXGBXAGGSA-N 1 0 267.325 0.982 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093530693 522181914 /nfs/dbraw/zinc/18/19/14/522181914.db2.gz WUSUUPQBBIECQD-CYBMUJFWSA-N 1 0 297.424 0.876 20 10 CCCDRO CN1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1=O ZINC000265728466 523185166 /nfs/dbraw/zinc/18/51/66/523185166.db2.gz PSIPWTXOLRXEDS-JTQLQIEISA-N 1 0 278.308 0.783 20 10 CCCDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000280243156 527579586 /nfs/dbraw/zinc/57/95/86/527579586.db2.gz IGYFSNOWBVVGQV-ZYHUDNBSSA-N 1 0 295.335 0.856 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1c(O)cccc1OC ZINC000783998561 581370441 /nfs/dbraw/zinc/37/04/41/581370441.db2.gz BPJMWBNCDYJTQS-UHFFFAOYSA-N 1 0 274.342 0.040 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000785984057 581426074 /nfs/dbraw/zinc/42/60/74/581426074.db2.gz CMUJPYHBMQSZAY-VIFPVBQESA-N 1 0 286.353 0.264 20 10 CCCDRO C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](C)C ZINC000767774220 581629749 /nfs/dbraw/zinc/62/97/49/581629749.db2.gz KZEWSWHMYDSTQP-VIFPVBQESA-N 1 0 252.314 0.707 20 10 CCCDRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000768772535 581655364 /nfs/dbraw/zinc/65/53/64/581655364.db2.gz ZPBQDXFOIKETOL-DOMZBBRYSA-N 1 0 291.395 0.681 20 10 CCCDRO COc1cccc(O)c1C[N@H+](C)CC(C)(CO)CO ZINC000769449108 581689463 /nfs/dbraw/zinc/68/94/63/581689463.db2.gz XZLXJXJWZNYEDK-UHFFFAOYSA-N 1 0 269.341 0.824 20 10 CCCDRO O=C1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCN1 ZINC000768447616 582106829 /nfs/dbraw/zinc/10/68/29/582106829.db2.gz AEJSHNZSFMIYHY-LBPRGKRZSA-N 1 0 278.308 0.140 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CCC(CO)(CO)C2)c1O ZINC000895312672 617175272 /nfs/dbraw/zinc/17/52/72/617175272.db2.gz RIDXIZJLUCUEJT-UHFFFAOYSA-N 1 0 281.352 0.886 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000895014698 617175529 /nfs/dbraw/zinc/17/55/29/617175529.db2.gz MBKKXWNEUCJBNU-OLZOCXBDSA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000894470307 617175663 /nfs/dbraw/zinc/17/56/63/617175663.db2.gz UQPNWZPSEFXLBG-HNNXBMFYSA-N 1 0 280.368 0.865 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@H](C[NH3+])C2)cc1OC ZINC000843065676 617207747 /nfs/dbraw/zinc/20/77/47/617207747.db2.gz OPHTWBMDOZXAQV-LLVKDONJSA-N 1 0 282.340 0.569 20 10 CCCDRO COc1cc(O)c(CN[C@H]2CC[NH2+]C2)cc1OC ZINC000849349613 617207757 /nfs/dbraw/zinc/20/77/57/617207757.db2.gz COGUNPBYYVYLJD-JTQLQIEISA-N 1 0 252.314 0.861 20 10 CCCDRO COc1cc(O)c(C[NH2+]CCN2CC[C@H](O)C2)cc1OC ZINC000862550216 617207773 /nfs/dbraw/zinc/20/77/73/617207773.db2.gz COZVDGGJSJMMMX-LBPRGKRZSA-N 1 0 296.367 0.566 20 10 CCCDRO COc1ccc(N2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000043801912 617267991 /nfs/dbraw/zinc/26/79/91/617267991.db2.gz MNLDUIWNYIVIRV-MRXNPFEDSA-N 1 0 291.395 0.806 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)CC[NH3+])C2)cc1 ZINC000851639555 617268179 /nfs/dbraw/zinc/26/81/79/617268179.db2.gz HKZNYHHBBITKDL-NSHDSACASA-N 1 0 263.341 0.739 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)COC2(C)C[NH2+]C2)c1 ZINC000843489214 617273939 /nfs/dbraw/zinc/27/39/39/617273939.db2.gz 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn[nH]n2)cc1 ZINC000832273804 616019738 /nfs/dbraw/zinc/01/97/38/616019738.db2.gz QHYVFZICJHHCMR-LLVKDONJSA-N 1 0 274.328 0.301 20 10 CCCDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)CCOCCO ZINC000883352181 616097612 /nfs/dbraw/zinc/09/76/12/616097612.db2.gz VZCKECOOUDEFKQ-AWEZNQCLSA-N 1 0 294.395 0.910 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852882522 616166717 /nfs/dbraw/zinc/16/67/17/616166717.db2.gz KFBNMZYDJRZQRG-CYBMUJFWSA-N 1 0 290.367 0.815 20 10 CCCDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000907061340 616234268 /nfs/dbraw/zinc/23/42/68/616234268.db2.gz UCTDXKOOSXMOJF-UHFFFAOYSA-N 1 0 293.367 0.207 20 10 CCCDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC000816950172 616391345 /nfs/dbraw/zinc/39/13/45/616391345.db2.gz MUMITQUURHBUNX-MWLCHTKSSA-N 1 0 262.309 0.874 20 10 CCCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434718 616477653 /nfs/dbraw/zinc/47/76/53/616477653.db2.gz 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ZINC000903279103 634549459 /nfs/dbraw/zinc/54/94/59/634549459.db2.gz ILKOIXJSVAKBTF-IUODEOHRSA-N 1 0 280.368 0.736 20 10 CCCDRO Cc1ccc(C(=O)NCC[N@H+](C)CCO)c(O)c1O ZINC000924997419 631703750 /nfs/dbraw/zinc/70/37/50/631703750.db2.gz HFEXXONQHMDSOX-UHFFFAOYSA-N 1 0 268.313 0.060 20 10 CCCDRO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929184144 633455581 /nfs/dbraw/zinc/45/55/81/633455581.db2.gz CFLBCJYQDBAVJN-CZUORRHYSA-N 1 0 294.395 0.697 20 10 CCCDRO O=C(NCCc1ccc(O)c(O)c1)C12CC[NH+](CC1)C2 ZINC000901121126 634192386 /nfs/dbraw/zinc/19/23/86/634192386.db2.gz AZSZAPYMSAAZPK-UHFFFAOYSA-N 1 0 276.336 0.852 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)c1cn(CC[NH3+])nn1 ZINC000089699759 637935491 /nfs/dbraw/zinc/93/54/91/637935491.db2.gz YTJCKPQSSHJFFD-UHFFFAOYSA-N 1 0 275.312 0.215 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1C ZINC000922540606 639725581 /nfs/dbraw/zinc/72/55/81/639725581.db2.gz TVGPNRHDFLLCBZ-MRXNPFEDSA-N 1 0 294.395 0.786 20 10 CCCDRO OCCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000125578729 639818079 /nfs/dbraw/zinc/81/80/79/639818079.db2.gz HULGSHAHRPXUSH-UHFFFAOYSA-N 1 0 280.324 0.231 20 10 CCCDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1O ZINC000828015214 642058650 /nfs/dbraw/zinc/05/86/50/642058650.db2.gz AOXZCJCYFBMMCH-LBPRGKRZSA-N 1 0 291.351 0.267 20 10 CCCDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC(=O)N1 ZINC000835060404 642646061 /nfs/dbraw/zinc/64/60/61/642646061.db2.gz LKDQTGCCUVTYCN-AWEZNQCLSA-N 1 0 278.308 0.879 20 10 CCCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656147 642827910 /nfs/dbraw/zinc/82/79/10/642827910.db2.gz WVOWMNOBYPXNIN-JTQLQIEISA-N 1 0 250.346 0.899 20 10 CCCDRO [NH3+]CCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841730016 642833513 /nfs/dbraw/zinc/83/35/13/642833513.db2.gz MPEXTLBRDSMSBS-UHFFFAOYSA-N 1 0 292.383 0.671 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000841937212 642857143 /nfs/dbraw/zinc/85/71/43/642857143.db2.gz PEXYGEWXHZUGQT-CYBMUJFWSA-N 1 0 262.357 0.863 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852824833 644011353 /nfs/dbraw/zinc/01/13/53/644011353.db2.gz GCBOHSQTIWSJSL-CQSZACIVSA-N 1 0 289.379 0.696 20 10 CCCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861715886 644915975 /nfs/dbraw/zinc/91/59/75/644915975.db2.gz RAUCNGAOIPEVKQ-MNOVXSKESA-N 1 0 292.335 0.379 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)[C@]2(CO)CCOC2)cc1OC ZINC000862426558 644999112 /nfs/dbraw/zinc/99/91/12/644999112.db2.gz JRGTXCIPYVABRG-HNNXBMFYSA-N 1 0 297.351 0.993 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1 ZINC000862535507 645004847 /nfs/dbraw/zinc/00/48/47/645004847.db2.gz PBKBQBNZPRXJMK-GFCCVEGCSA-N 1 0 264.325 0.777 20 10 CCCDRO NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000862535816 645005423 /nfs/dbraw/zinc/00/54/23/645005423.db2.gz YYNVEXTZEASGAK-LLVKDONJSA-N 1 0 250.298 0.468 20 10 CCCDRO NC(=O)C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000863324776 645081418 /nfs/dbraw/zinc/08/14/18/645081418.db2.gz KAGRBQPDGLEECF-CQSZACIVSA-N 1 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WBFQRLWCUIINFK-YWPYICTPSA-N 1 0 281.352 0.945 20 10 CCCDRO COc1ccc(N2CCN(C(=O)C3([NH3+])CC3)CC2)cc1 ZINC000088129680 649636393 /nfs/dbraw/zinc/63/63/93/649636393.db2.gz OPVKMWLJAMCAED-UHFFFAOYSA-N 1 0 275.352 0.835 20 10 CCCDRO COc1cc(CN2CC([NH+](C)C)C2)c(O)cc1O ZINC001231634202 805822487 /nfs/dbraw/zinc/82/24/87/805822487.db2.gz JHUXHFRFSFGPFZ-UHFFFAOYSA-N 1 0 252.314 0.852 20 10 CCCDRO Cc1cc(C)c(C[NH+]2CC(N3CCNC(=O)C3)C2)c(O)c1 ZINC001231846067 805860389 /nfs/dbraw/zinc/86/03/89/805860389.db2.gz FDNCBKXASVEQSH-UHFFFAOYSA-N 1 0 289.379 0.625 20 10 CCCDRO OC[C@@]1(F)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483017 806058503 /nfs/dbraw/zinc/05/85/03/806058503.db2.gz LHHMPCRHWQCBSO-GFCCVEGCSA-N 1 0 257.261 0.710 20 10 CCCDRO COc1cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)cc1O ZINC001236023538 806530106 /nfs/dbraw/zinc/53/01/06/806530106.db2.gz BWCZEUYJMOELAW-NOZJJQNGSA-N 1 0 250.298 0.639 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236282207 806558392 /nfs/dbraw/zinc/55/83/92/806558392.db2.gz BZFXEIIQVYNORQ-HOCLYGCPSA-N 1 0 273.380 0.927 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1[NH3+] ZINC001236345156 806574715 /nfs/dbraw/zinc/57/47/15/806574715.db2.gz CZSPQFHEVPRDHD-KGLIPLIRSA-N 1 0 291.395 0.993 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(C)cc(OC)cc2O)C[C@H]1[NH3+] ZINC001236352101 806583059 /nfs/dbraw/zinc/58/30/59/806583059.db2.gz MLABIQDWPNLMSX-CHWSQXEVSA-N 1 0 294.351 0.641 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(C)cc(C)cc2O)C[C@H]1[NH3+] ZINC001236356772 806584933 /nfs/dbraw/zinc/58/49/33/806584933.db2.gz RPLLGEJGKYDMKS-QWHCGFSZSA-N 1 0 278.352 0.941 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(O)ccc(F)c2F)C[C@@H]1[NH3+] ZINC001236360963 806586567 /nfs/dbraw/zinc/58/65/67/806586567.db2.gz WDAHHJOQRMCJCI-XCBNKYQSSA-N 1 0 286.278 0.603 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@@H]1[NH3+] ZINC001236361236 806587498 /nfs/dbraw/zinc/58/74/98/806587498.db2.gz XOHNDAVVIKZWPG-OLZOCXBDSA-N 1 0 293.367 0.390 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1OC ZINC001236749548 806607751 /nfs/dbraw/zinc/60/77/51/806607751.db2.gz JVESOFJIKISQGT-JQWIXIFHSA-N 1 0 283.324 0.194 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001237487491 806674076 /nfs/dbraw/zinc/67/40/76/806674076.db2.gz JJXLMMLNZSIFJD-UHFFFAOYSA-N 1 0 275.352 0.317 20 10 CCCDRO [NH3+]CCS(=O)(=O)Nc1ccc(O)c(F)c1F ZINC001237603051 806698346 /nfs/dbraw/zinc/69/83/46/806698346.db2.gz IEQIEHZQNONZLQ-UHFFFAOYSA-N 1 0 252.242 0.371 20 10 CCCDRO COc1cc(CN2CC(C)(C[NH3+])C2)c(O)cc1O ZINC001206730343 799778191 /nfs/dbraw/zinc/77/81/91/799778191.db2.gz SJSJKTWWLXKOMP-UHFFFAOYSA-N 1 0 252.314 0.887 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463120 799910033 /nfs/dbraw/zinc/91/00/33/799910033.db2.gz TXHZHQFJONJKEV-CABZTGNLSA-N 1 0 257.717 0.831 20 10 CCCDRO CNC(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161327 799986841 /nfs/dbraw/zinc/98/68/41/799986841.db2.gz FAYINORASDXQOK-UHFFFAOYSA-N 1 0 279.340 0.991 20 10 CCCDRO Nc1nc(NCCc2cc(O)c(O)cc2O)cc[nH+]1 ZINC001157245324 801331183 /nfs/dbraw/zinc/33/11/83/801331183.db2.gz VOMQNVRAIAENKG-UHFFFAOYSA-N 1 0 262.269 0.830 20 10 CCCDRO Cn1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1=O ZINC001240487815 806943604 /nfs/dbraw/zinc/94/36/04/806943604.db2.gz PPUFNOMWAUKNDQ-UHFFFAOYSA-N 1 0 270.336 0.857 20 10 CCCDRO COC(=O)c1cc(N2CC[C@@H]([NH3+])C2)cc2c1OCO2 ZINC001164281710 802704925 /nfs/dbraw/zinc/70/49/25/802704925.db2.gz LCCNPYFRBOSFDB-MRVPVSSYSA-N 1 0 264.281 0.739 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001203585051 803035635 /nfs/dbraw/zinc/03/56/35/803035635.db2.gz LJMDVBJMHFHPPU-NEPJUHHUSA-N 1 0 267.325 0.576 20 10 CCCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CO ZINC001203640107 803039647 /nfs/dbraw/zinc/03/96/47/803039647.db2.gz RWABLLWHJJPPMA-JTQLQIEISA-N 1 0 290.157 0.940 20 10 CCCDRO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(O)cc1O ZINC001204273080 803074917 /nfs/dbraw/zinc/07/49/17/803074917.db2.gz XBLMRSAMISCANW-UHFFFAOYSA-N 1 0 280.324 0.388 20 10 CCCDRO CN1CCO[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204273330 803075395 /nfs/dbraw/zinc/07/53/95/803075395.db2.gz OKPATWMCRKQETD-OCCSQVGLSA-N 1 0 264.325 0.613 20 10 CCCDRO COc1cc(CN2CC[N@@H+]3CC[C@@H]3C2)cc(O)c1O ZINC001204350476 803080552 /nfs/dbraw/zinc/08/05/52/803080552.db2.gz HSIWGYSYFUCSNQ-LLVKDONJSA-N 1 0 264.325 0.996 20 10 CCCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001206444683 803243963 /nfs/dbraw/zinc/24/39/63/803243963.db2.gz KGZQEDFHUWZHFG-DTWKUNHWSA-N 1 0 256.277 0.675 20 10 CCCDRO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1cc(O)c(O)cc1O ZINC001220115581 804504776 /nfs/dbraw/zinc/50/47/76/804504776.db2.gz POMLAZOTKLLAEG-JTQLQIEISA-N 1 0 294.351 0.852 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c(O)c1 ZINC001220826048 804675623 /nfs/dbraw/zinc/67/56/23/804675623.db2.gz YYJWDZVZUWZXAH-LRDDRELGSA-N 1 0 289.379 0.577 20 10 CCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC[NH2+]C1 ZINC001220884696 804690187 /nfs/dbraw/zinc/69/01/87/804690187.db2.gz KZKPMPGGZKLDCV-MALLOTDXSA-N 1 0 262.309 0.979 20 10 CCCDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001277014626 805099996 /nfs/dbraw/zinc/09/99/96/805099996.db2.gz VFNVPADNZKMRSF-WFASDCNBSA-N 1 0 276.336 0.977 20 10 CCCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN1CCOCC1 ZINC001251022105 807643627 /nfs/dbraw/zinc/64/36/27/807643627.db2.gz WMHZNODTKHFEGY-OAHLLOKOSA-N 1 0 294.395 0.907 20 10 CCCDRO COC(=O)[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001252442055 807858359 /nfs/dbraw/zinc/85/83/59/807858359.db2.gz PSQMKMJRADEOPX-GFCCVEGCSA-N 1 0 252.314 0.376 20 10 CCCDRO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253438528 808065639 /nfs/dbraw/zinc/06/56/39/808065639.db2.gz UWDQBFJXMPKKAB-SMDDNHRTSA-N 1 0 299.367 0.897 20 10 CCCDRO CC(=O)N1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001254415809 808238020 /nfs/dbraw/zinc/23/80/20/808238020.db2.gz AZXOLABVAVNTOX-UHFFFAOYSA-N 1 0 294.351 0.946 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC001262487772 809318489 /nfs/dbraw/zinc/31/84/89/809318489.db2.gz DZOPAELBISWVGM-CQSZACIVSA-N 1 0 274.324 0.443 20 10 CCCDRO Oc1cc2c(cc1CN[C@@H]1CCC[NH2+]C1)OCO2 ZINC000841042626 814605197 /nfs/dbraw/zinc/60/51/97/814605197.db2.gz MDJDULGYOSSWJJ-SNVBAGLBSA-N 1 0 250.298 0.963 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)c(OC)c1 ZINC001236031809 817030914 /nfs/dbraw/zinc/03/09/14/817030914.db2.gz XPFPRQIGJVHGHB-XPTSAGLGSA-N 1 0 264.325 0.942 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC001236344100 817272344 /nfs/dbraw/zinc/27/23/44/817272344.db2.gz MXTQBCXVTAIZNX-MWLCHTKSSA-N 1 0 268.288 0.463 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1 ZINC000702636130 819153077 /nfs/dbraw/zinc/15/30/77/819153077.db2.gz LWCDOQKHNGBXSM-HNNXBMFYSA-N 1 0 263.385 0.909 20 10 CCCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1O ZINC000708288313 819770127 /nfs/dbraw/zinc/77/01/27/819770127.db2.gz CATPHVABTZLQEA-UHFFFAOYSA-N 1 0 290.360 0.949 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1O ZINC000828637474 821796074 /nfs/dbraw/zinc/79/60/74/821796074.db2.gz YODXOTQMCUTSQG-RISCZKNCSA-N 1 0 264.325 0.464 20 10 CCCDRO C[N@H+](CCN1CCOCC1)Cc1c(O)cc(O)cc1O ZINC001144499161 840065344 /nfs/dbraw/zinc/06/53/44/840065344.db2.gz CTCPMHPSHRBBBE-UHFFFAOYSA-N 1 0 282.340 0.567 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001144500716 840066773 /nfs/dbraw/zinc/06/67/73/840066773.db2.gz ZTTLNCMSTWLAMI-SKDRFNHKSA-N 1 0 257.261 0.708 20 10 CCCDRO C[C@@H]1C(=O)N(C)CCN1Cc1c(O)cc(O)cc1O ZINC001144514429 840072023 /nfs/dbraw/zinc/07/20/23/840072023.db2.gz CZGYCBLLCNXSQQ-MRVPVSSYSA-N 1 0 266.297 0.466 20 10 CCCDRO O=C1CN(Cc2c(O)cc(O)cc2O)C[C@@H]2CCCN12 ZINC001144514837 840076016 /nfs/dbraw/zinc/07/60/16/840076016.db2.gz UPHOUOZMOOSCBE-VIFPVBQESA-N 1 0 278.308 0.610 20 10 CCCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001148588124 840854266 /nfs/dbraw/zinc/85/42/66/840854266.db2.gz OXUDYFUETULUIP-KOLCDFICSA-N 1 0 292.335 0.970 20 10 CCCDRO CCN1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001173347935 842046808 /nfs/dbraw/zinc/04/68/08/842046808.db2.gz JXTCOTNIIFJHMZ-BXUZGUMPSA-N 1 0 266.341 0.815 20 10 CCCDRO C[NH+]1CC2(CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC001179687265 843033391 /nfs/dbraw/zinc/03/33/91/843033391.db2.gz RNAWZKBCIRIULP-HWKANZROSA-N 1 0 274.320 0.885 20 10 CCCDRO COC[C@@](C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000716937085 846101880 /nfs/dbraw/zinc/10/18/80/846101880.db2.gz WEHMEKMFTOGXFT-CYBMUJFWSA-N 1 0 269.297 0.608 20 10 CCCDRO COC(=O)[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252423002 847946864 /nfs/dbraw/zinc/94/68/64/847946864.db2.gz LMYSUUOXXIKGBM-CYBMUJFWSA-N 1 0 266.341 0.718 20 10 CCCDRO COC(=O)[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001252437727 847960451 /nfs/dbraw/zinc/96/04/51/847960451.db2.gz XFISSCZMMMLPJO-CQSZACIVSA-N 1 0 278.352 0.910 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000697579584 855620859 /nfs/dbraw/zinc/62/08/59/855620859.db2.gz MNDAEJFUCUKAHI-SECBINFHSA-N 1 0 273.354 0.924 20 10 CCCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CC[NH2+]CC1 ZINC001326309590 913880986 /nfs/dbraw/zinc/88/09/86/913880986.db2.gz ONCJLFKCTUKYCP-UHFFFAOYSA-N 1 0 288.395 0.330 20 10 CCCDRO Oc1cccc(F)c1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235050852 903968458 /nfs/dbraw/zinc/96/84/58/903968458.db2.gz FLWLUQCLJMJMDY-AWEZNQCLSA-N 1 0 265.332 0.669 20 10 CCCDRO Nc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC001337018980 921156374 /nfs/dbraw/zinc/15/63/74/921156374.db2.gz NYVBMDACYLUOLH-CYBMUJFWSA-N 1 0 278.356 0.528 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC001331566795 917419631 /nfs/dbraw/zinc/41/96/31/917419631.db2.gz PRCRPCHYMLSFOK-NWDGAFQWSA-N 1 0 267.325 0.637 20 10 CCCDRO CN(C(=O)C1([S@](C)=O)CC[NH2+]CC1)c1ccc(N)cc1 ZINC001331726229 917553247 /nfs/dbraw/zinc/55/32/47/917553247.db2.gz RANIBKFUSKBZCB-FQEVSTJZSA-N 1 0 295.408 0.732 20 10 CCCDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1Cc2cccc(O)c2C1 ZINC001331878834 917683352 /nfs/dbraw/zinc/68/33/52/917683352.db2.gz PWLKSVNGYGOEMR-IWIIMEHWSA-N 1 0 259.309 0.635 20 10 CCCDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332116636 917872566 /nfs/dbraw/zinc/87/25/66/917872566.db2.gz PWYMDKSIDNTZQA-LLVKDONJSA-N 1 0 289.335 0.184 20 10 CCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332128427 917885956 /nfs/dbraw/zinc/88/59/56/917885956.db2.gz PYIRXBQRCSNEFB-LLVKDONJSA-N 1 0 289.335 0.055 20 10 CCCDRO O=C(NCC[NH2+]C1CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001333979062 919289495 /nfs/dbraw/zinc/28/94/95/919289495.db2.gz IURMTNFMQNLRLP-UHFFFAOYSA-N 1 0 289.335 0.103 20 10 CCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1[NH3+] ZINC001340080184 921947820 /nfs/dbraw/zinc/94/78/20/921947820.db2.gz SJNAKORWXGTJAQ-ZYHUDNBSSA-N 1 0 291.351 0.156 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)cc1F ZINC001341584041 922567159 /nfs/dbraw/zinc/56/71/59/922567159.db2.gz BVXBQDPXLOQNBQ-ABAIWWIYSA-N 1 0 295.358 0.621 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)cc1F ZINC001341584042 922568154 /nfs/dbraw/zinc/56/81/54/922568154.db2.gz BVXBQDPXLOQNBQ-IAQYHMDHSA-N 1 0 295.358 0.621 20 10 CCCDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001342614205 923026570 /nfs/dbraw/zinc/02/65/70/923026570.db2.gz SRSCHZQGDSPFTL-UFBFGSQYSA-N 1 0 268.288 0.511 20 10 CCCDRO [NH3+]C1CCN(CCNC(=O)NCc2ccccc2O)CC1 ZINC001357583764 926564409 /nfs/dbraw/zinc/56/44/09/926564409.db2.gz WXHRSSKCFCQQCF-UHFFFAOYSA-N 1 0 292.383 0.615 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)COC)c1 ZINC000117946166 349893754 /nfs/dbraw/zinc/89/37/54/349893754.db2.gz JEBSDGMOYTXFPG-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO C[NH+]1CCN(CCCNC(=O)c2cccc(O)c2O)CC1 ZINC000188077237 351571627 /nfs/dbraw/zinc/57/16/27/351571627.db2.gz OADOZCRVGZREQA-UHFFFAOYSA-N 1 0 293.367 0.465 20 10 CCCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000272332662 353053810 /nfs/dbraw/zinc/05/38/10/353053810.db2.gz MYRJEDKBQQLHTP-JTQLQIEISA-N 1 0 250.298 0.808 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1F ZINC000364329150 357110290 /nfs/dbraw/zinc/11/02/90/357110290.db2.gz QHLUVAFVKCXOKO-NWDGAFQWSA-N 1 0 268.332 0.819 20 10 CCCDRO Oc1cc2c(cc1C[N@H+]1CCOC[C@H](O)C1)OCO2 ZINC000294904364 199241268 /nfs/dbraw/zinc/24/12/68/199241268.db2.gz XOJXXMCICFLCFU-SNVBAGLBSA-N 1 0 267.281 0.314 20 10 CCCDRO NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637979424 374523768 /nfs/dbraw/zinc/52/37/68/374523768.db2.gz SICAYJNLHQSGSB-CHWSQXEVSA-N 1 0 285.347 0.725 20 10 CCCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(OC)c1O ZINC000372638909 389455615 /nfs/dbraw/zinc/45/56/15/389455615.db2.gz KWLHAYMEYHAIPL-DGCLKSJQSA-N 1 0 295.335 0.899 20 10 CCCDRO COCC(=O)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000179673448 389661055 /nfs/dbraw/zinc/66/10/55/389661055.db2.gz WVURRVFOMIEDGO-UHFFFAOYSA-N 1 0 294.351 0.691 20 10 CCCDRO COc1ccc(O)c(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 ZINC000180726458 389674435 /nfs/dbraw/zinc/67/44/35/389674435.db2.gz LSHPKUMMWIDOML-NOZJJQNGSA-N 1 0 280.324 0.475 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047375 174056674 /nfs/dbraw/zinc/05/66/74/174056674.db2.gz QEVURNWQVPNPPY-UHFFFAOYSA-N 1 0 273.354 0.925 20 10 CCCDRO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1O ZINC000183312428 327818819 /nfs/dbraw/zinc/81/88/19/327818819.db2.gz ZRVGWXACDKAZBL-NSHDSACASA-N 1 0 277.324 0.985 20 10 CCCDRO CC(=O)c1cc(F)cc(C[N@@H+](CCO)C[C@H](C)O)c1O ZINC000289872790 518283571 /nfs/dbraw/zinc/28/35/71/518283571.db2.gz QVUXQSZCFMHGLT-VIFPVBQESA-N 1 0 285.315 0.909 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)COC)c1 ZINC000279644863 521155830 /nfs/dbraw/zinc/15/58/30/521155830.db2.gz DHZNBGMFGRHSDQ-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000040825873 522202772 /nfs/dbraw/zinc/20/27/72/522202772.db2.gz ZPAZGBAUDMWXKY-QWHCGFSZSA-N 1 0 263.341 0.092 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000279780146 522685096 /nfs/dbraw/zinc/68/50/96/522685096.db2.gz LHGIKRRPUAGHFI-NSHDSACASA-N 1 0 256.321 0.989 20 10 CCCDRO C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000126250805 523774657 /nfs/dbraw/zinc/77/46/57/523774657.db2.gz PCQRWKXAZVKRTO-UHFFFAOYSA-N 1 0 250.298 0.922 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H](C)CS(C)(=O)=O)c1 ZINC000081901513 524754510 /nfs/dbraw/zinc/75/45/10/524754510.db2.gz ZATHJCCIBOJBGE-SECBINFHSA-N 1 0 273.354 0.924 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1OC ZINC000792713631 581268907 /nfs/dbraw/zinc/26/89/07/581268907.db2.gz MVACLQNZTRORKX-AEGPPILISA-N 1 0 295.335 0.664 20 10 CCCDRO CCOc1ccc(C[NH2+][C@@H](CO)COC)c(O)c1 ZINC000793325782 581290023 /nfs/dbraw/zinc/29/00/23/581290023.db2.gz UUVPPDGGLUCFOC-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO O=S1(=O)CC(CC[NH2+]Cc2ccccc2O)C1 ZINC000786825620 581450104 /nfs/dbraw/zinc/45/01/04/581450104.db2.gz XGZZFMFHYPIJJD-UHFFFAOYSA-N 1 0 255.339 0.917 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000757927507 581715012 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CN1CC[N@H+](C)CC(C(=O)NCc2c(O)cccc2F)C1 ZINC000928709257 616234248 /nfs/dbraw/zinc/23/42/48/616234248.db2.gz HHEIPZONKGBBGZ-UHFFFAOYSA-N 1 0 295.358 0.641 20 10 CCCDRO CN(C)c1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1F ZINC000843120815 616245012 /nfs/dbraw/zinc/24/50/12/616245012.db2.gz VQYFXVZUDJHIFE-CYBMUJFWSA-N 1 0 280.391 0.966 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877643585 616245095 /nfs/dbraw/zinc/24/50/95/616245095.db2.gz GVQXLXFVXYXYRB-OAHLLOKOSA-N 1 0 263.385 0.861 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895452514 616597561 /nfs/dbraw/zinc/59/75/61/616597561.db2.gz XVTNOJURQRDQHK-UHFFFAOYSA-N 1 0 296.323 0.088 20 10 CCCDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648161 616601942 /nfs/dbraw/zinc/60/19/42/616601942.db2.gz AOOQIGWXBHRYDF-NXEZZACHSA-N 1 0 280.324 0.721 20 10 CCCDRO CNC(=O)NC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000839539726 616696336 /nfs/dbraw/zinc/69/63/36/616696336.db2.gz NETIPTVJRULWPU-SECBINFHSA-N 1 0 295.339 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GVHNPHKOQLMBFU-QMTHXVAHSA-N 1 0 281.308 0.439 20 10 CCCDRO O=C(NCc1ccc(O)c(O)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000901133374 634197188 /nfs/dbraw/zinc/19/71/88/634197188.db2.gz XCDMQLJEXQZPQV-LBPRGKRZSA-N 1 0 292.335 0.435 20 10 CCCDRO CNC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000046502307 636990695 /nfs/dbraw/zinc/99/06/95/636990695.db2.gz HBUMNUDEECTYRD-UHFFFAOYSA-N 1 0 277.368 0.953 20 10 CCCDRO C[C@@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2O)C1=O ZINC000838895213 640278020 /nfs/dbraw/zinc/27/80/20/640278020.db2.gz LTMZJRCYOCMCLN-JTQLQIEISA-N 1 0 277.324 0.764 20 10 CCCDRO Cc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)ccc1N(C)C ZINC000815075606 641089739 /nfs/dbraw/zinc/08/97/39/641089739.db2.gz HNFNZUMALFMCRK-ZDUSSCGKSA-N 1 0 297.424 0.924 20 10 CCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000842220703 642883169 /nfs/dbraw/zinc/88/31/69/642883169.db2.gz HBDCBQMRAPFJDE-IUODEOHRSA-N 1 0 280.368 0.355 20 10 CCCDRO C[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842230346 642883883 /nfs/dbraw/zinc/88/38/83/642883883.db2.gz SRGFNKIAIXFTCT-NSHDSACASA-N 1 0 292.383 0.174 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852797279 644002043 /nfs/dbraw/zinc/00/20/43/644002043.db2.gz NNLXLMOQBIGPQX-CHWSQXEVSA-N 1 0 263.341 0.291 20 10 CCCDRO Cc1cccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1O ZINC000862536706 645005817 /nfs/dbraw/zinc/00/58/17/645005817.db2.gz LZYKMSQHFWVIDH-UHFFFAOYSA-N 1 0 299.396 0.281 20 10 CCCDRO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988409 646073781 /nfs/dbraw/zinc/07/37/81/646073781.db2.gz OSFMEPFKFRVBJO-QWRGUYRKSA-N 1 0 264.325 0.948 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000877168451 646745959 /nfs/dbraw/zinc/74/59/59/646745959.db2.gz UTYIIGHZEPSOHD-NSHDSACASA-N 1 0 275.308 0.437 20 10 CCCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000877644140 646831608 /nfs/dbraw/zinc/83/16/08/646831608.db2.gz MMFSHFKYFYVPRZ-CYBMUJFWSA-N 1 0 250.342 0.809 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc(N2CCOCC2)cc1 ZINC000930210123 648836804 /nfs/dbraw/zinc/83/68/04/648836804.db2.gz KJKHYXIQVLAJTG-SWLSCSKDSA-N 1 0 280.368 0.527 20 10 CCCDRO OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275576 649375999 /nfs/dbraw/zinc/37/59/99/649375999.db2.gz WUSHBASGGQAGAM-UHFFFAOYSA-N 1 0 250.342 0.730 20 10 CCCDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(O)c1O ZINC000189516357 649377937 /nfs/dbraw/zinc/37/79/37/649377937.db2.gz VISYUSBUSPOOQS-UHFFFAOYSA-N 1 0 294.351 0.674 20 10 CCCDRO CN(C)c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000089700221 649662102 /nfs/dbraw/zinc/66/21/02/649662102.db2.gz RLOLMSQIGXUXSN-UHFFFAOYSA-N 1 0 288.355 0.233 20 10 CCCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001231847250 805860479 /nfs/dbraw/zinc/86/04/79/805860479.db2.gz VRVQAZQSGVKQEP-CYBMUJFWSA-N 1 0 264.325 0.695 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC001232840206 805988032 /nfs/dbraw/zinc/98/80/32/805988032.db2.gz PDSDEGAXOXXMMY-ZDUSSCGKSA-N 1 0 279.340 0.144 20 10 CCCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008802 806004593 /nfs/dbraw/zinc/00/45/93/806004593.db2.gz HLRVTOJDZHEYDJ-VIFPVBQESA-N 1 0 266.297 0.501 20 10 CCCDRO C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CC[N@@H+]1C ZINC001233016077 806008021 /nfs/dbraw/zinc/00/80/21/806008021.db2.gz FTMGSAWIKMNZMW-SECBINFHSA-N 1 0 252.314 0.939 20 10 CCCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]12 ZINC001233016669 806008669 /nfs/dbraw/zinc/00/86/69/806008669.db2.gz JCNSTNXGOLIEIP-VHSXEESVSA-N 1 0 278.308 0.371 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1O ZINC001233482761 806059833 /nfs/dbraw/zinc/05/98/33/806059833.db2.gz BFHSTEOEASRRQT-PELKAZGASA-N 1 0 257.261 0.708 20 10 CCCDRO O=C1NCC[C@]12CCC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484000 806061988 /nfs/dbraw/zinc/06/19/88/806061988.db2.gz UMFFOQUKAVOHTA-HNNXBMFYSA-N 1 0 292.335 0.906 20 10 CCCDRO CN(C)c1ccc(CN2CCNC[C@@]23CC[NH2+]C3)cc1 ZINC001234982239 806325264 /nfs/dbraw/zinc/32/52/64/806325264.db2.gz NTKGCURQVNNGTQ-INIZCTEOSA-N 1 0 274.412 0.890 20 10 CCCDRO Oc1cc(O)c(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235059559 806361589 /nfs/dbraw/zinc/36/15/89/806361589.db2.gz DHDZUTYFKCZIPD-AWEZNQCLSA-N 1 0 297.786 0.889 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(C)c1O ZINC001236200782 806553744 /nfs/dbraw/zinc/55/37/44/806553744.db2.gz JMBJVIRROHLHRC-NEPJUHHUSA-N 1 0 264.325 0.775 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccccc2O)C[C@@H]1[NH3+] ZINC001236337959 806567883 /nfs/dbraw/zinc/56/78/83/806567883.db2.gz CGVXIKISNQRFMC-MNOVXSKESA-N 1 0 250.298 0.324 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC001236344098 806574703 /nfs/dbraw/zinc/57/47/03/806574703.db2.gz MXTQBCXVTAIZNX-KOLCDFICSA-N 1 0 268.288 0.463 20 10 CCCDRO CCOc1ccc(CN2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236352908 806584045 /nfs/dbraw/zinc/58/40/45/806584045.db2.gz NJUHMVLUTSEOQV-QWHCGFSZSA-N 1 0 294.351 0.723 20 10 CCCDRO C[C@]1(C(=O)NCc2ccccc2O)C[C@@H](O)C[NH2+]1 ZINC001121951933 799106289 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524012947 /nfs/dbraw/zinc/01/29/47/524012947.db2.gz ZLMSFRCNQGIKNT-VIFPVBQESA-N 1 0 264.281 0.441 20 10 CCCDRO CCN1CC(=O)N[C@@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788691508 581122933 /nfs/dbraw/zinc/12/29/33/581122933.db2.gz QIFKCFXJOMAEIK-INIZCTEOSA-N 1 0 288.395 0.889 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)ccc1O ZINC000756491712 581668597 /nfs/dbraw/zinc/66/85/97/581668597.db2.gz XZJAVDLXZRIFRP-NSHDSACASA-N 1 0 295.358 0.956 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000757927508 581715045 /nfs/dbraw/zinc/71/50/45/581715045.db2.gz GJKCUAWTPLCVNR-LBPRGKRZSA-N 1 0 278.352 0.917 20 10 CCCDRO C[NH+](C)CCNC(=S)NCc1ccccc1O ZINC000748157076 581964649 /nfs/dbraw/zinc/96/46/49/581964649.db2.gz JCMUEBAEEBXDAL-UHFFFAOYSA-N 1 0 253.371 0.918 20 10 CCCDRO COc1c(O)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000774913726 582002549 /nfs/dbraw/zinc/00/25/49/582002549.db2.gz PPAHZHFOQVIMTD-AOOOYVTPSA-N 1 0 298.295 0.237 20 10 CCCDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775370409 582021398 /nfs/dbraw/zinc/02/13/98/582021398.db2.gz MMYINAUTZPSSKS-QMMMGPOBSA-N 1 0 281.312 0.507 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCNC1=O ZINC000768465456 582107186 /nfs/dbraw/zinc/10/71/86/582107186.db2.gz NCKDJXOOTKRULX-PWSUYJOCSA-N 1 0 278.308 0.138 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000895462128 617175439 /nfs/dbraw/zinc/17/54/39/617175439.db2.gz KCLMKZDSROALFH-BETUJISGSA-N 1 0 281.352 0.742 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000895417732 617175932 /nfs/dbraw/zinc/17/59/32/617175932.db2.gz GFFDZGNVKKWMBQ-MNOVXSKESA-N 1 0 253.298 0.559 20 10 CCCDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000842203511 617180488 /nfs/dbraw/zinc/18/04/88/617180488.db2.gz UAGMSOCPSTZUOF-LLVKDONJSA-N 1 0 292.383 0.347 20 10 CCCDRO C[C@@H](NC(=O)C(=O)NCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000842202259 617181432 /nfs/dbraw/zinc/18/14/32/617181432.db2.gz HDWJNTNCPHIROV-LLVKDONJSA-N 1 0 292.383 0.395 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](O)C2)c(O)c1OC ZINC000891638872 617251155 /nfs/dbraw/zinc/25/11/55/617251155.db2.gz BVMDLGZMLKDHPX-JTQLQIEISA-N 1 0 253.298 0.976 20 10 CCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000831752790 617268013 /nfs/dbraw/zinc/26/80/13/617268013.db2.gz DSRAUMVJMWFLTG-NWDGAFQWSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000851640151 617268118 /nfs/dbraw/zinc/26/81/18/617268118.db2.gz RHODNJLUFIXFIL-QWRGUYRKSA-N 1 0 263.341 0.737 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000828667661 617273892 /nfs/dbraw/zinc/27/38/92/617273892.db2.gz SXLGPTVLNZSNBI-QWRGUYRKSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000828667657 617274037 /nfs/dbraw/zinc/27/40/37/617274037.db2.gz SXLGPTVLNZSNBI-GHMZBOCLSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c(CNCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000863648208 617273178 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CCOc1ccc(C[NH2+]CC(=O)NCC(=O)OC)c(O)c1 ZINC000877706281 615510895 /nfs/dbraw/zinc/51/08/95/615510895.db2.gz JLMYPHFJDJZJLM-UHFFFAOYSA-N 1 0 296.323 0.170 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]CC(=O)NCC(=O)OC)c1 ZINC000877707126 615512038 /nfs/dbraw/zinc/51/20/38/615512038.db2.gz XOTPESOUYNOHAV-UHFFFAOYSA-N 1 0 296.323 0.170 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@@H]2CNCCO2)c1O ZINC000841099675 615516769 /nfs/dbraw/zinc/51/67/69/615516769.db2.gz VOBQXZPBQAFRHM-LBPRGKRZSA-N 1 0 266.341 0.869 20 10 CCCDRO CC[C@@H]([NH3+])CNC(=O)NCc1cccc(OC)c1O ZINC000842008311 615523506 /nfs/dbraw/zinc/52/35/06/615523506.db2.gz TXUAAMOZIBICKE-SNVBAGLBSA-N 1 0 267.329 0.937 20 10 CCCDRO C[NH+](C)CCN1CCN(Cc2cc(F)ccc2O)CC1=O ZINC000846011146 615899656 /nfs/dbraw/zinc/89/96/56/615899656.db2.gz MKXYYCKCTPTDEP-UHFFFAOYSA-N 1 0 295.358 0.737 20 10 CCCDRO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccccc1O ZINC000846678172 615911118 /nfs/dbraw/zinc/91/11/18/615911118.db2.gz WFRURXPGQHSUDL-LLVKDONJSA-N 1 0 251.330 0.287 20 10 CCCDRO C[NH+](C)C[C@H](N)C(=O)NCCCSc1nccs1 ZINC000876662384 615941844 /nfs/dbraw/zinc/94/18/44/615941844.db2.gz NZXNRLAUIQVJNQ-VIFPVBQESA-N 1 0 288.442 0.630 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN(C)C2CC([NH3+])C2)cc1 ZINC000844223743 616014462 /nfs/dbraw/zinc/01/44/62/616014462.db2.gz BIUQKGNEOSBJDY-UHFFFAOYSA-N 1 0 290.411 0.790 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC(=O)O2)cc1 ZINC000876505798 616019019 /nfs/dbraw/zinc/01/90/19/616019019.db2.gz BILZCTQHXHTUGZ-QWHCGFSZSA-N 1 0 291.351 0.574 20 10 CCCDRO CN(C)c1ccc([C@H](C[NH2+]CCC(N)=O)N(C)C)cc1 ZINC000905704638 616019355 /nfs/dbraw/zinc/01/93/55/616019355.db2.gz ODLDKCKKHMQOEW-AWEZNQCLSA-N 1 0 278.400 0.820 20 10 CCCDRO C[N@H+](CCC(N)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809713263 616069669 /nfs/dbraw/zinc/06/96/69/616069669.db2.gz FTVYOJOVYWPBKP-UHFFFAOYSA-N 1 0 295.358 0.970 20 10 CCCDRO CN(CCOCC[NH3+])C(=O)Cc1ccc(N)cc1 ZINC000877059390 616115381 /nfs/dbraw/zinc/11/53/81/616115381.db2.gz MNAZLEBVHOPPNU-UHFFFAOYSA-N 1 0 251.330 0.245 20 10 CCCDRO CN1C(=O)[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]2C1=O ZINC000877721108 616158443 /nfs/dbraw/zinc/15/84/43/616158443.db2.gz ZUNUVJKTYZQTGI-PHIMTYICSA-N 1 0 278.283 0.578 20 10 CCCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910942925 616211458 /nfs/dbraw/zinc/21/14/58/616211458.db2.gz IRQWODHHIFBIHY-NSHDSACASA-N 1 0 250.298 0.808 20 10 CCCDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccccc2O)C1 ZINC000901125495 616218624 /nfs/dbraw/zinc/21/86/24/616218624.db2.gz YDKKPHFHWCXTIQ-HNNXBMFYSA-N 1 0 278.352 0.855 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877643584 616244959 /nfs/dbraw/zinc/24/49/59/616244959.db2.gz GVQXLXFVXYXYRB-HNNXBMFYSA-N 1 0 263.385 0.861 20 10 CCCDRO C[NH+]1CCN(c2ccc(CNCc3cn[nH]n3)cc2)CC1 ZINC000858197016 616247024 /nfs/dbraw/zinc/24/70/24/616247024.db2.gz CSRLGGYKUTVQSZ-UHFFFAOYSA-N 1 0 286.383 0.846 20 10 CCCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000826967456 616498073 /nfs/dbraw/zinc/49/80/73/616498073.db2.gz SMRPPBSMRXXPHF-GXFFZTMASA-N 1 0 281.308 0.821 20 10 CCCDRO COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000808743453 616538853 /nfs/dbraw/zinc/53/88/53/616538853.db2.gz DDFUPVWMBHRCBM-XPTSAGLGSA-N 1 0 283.324 0.975 20 10 CCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000832658902 616568273 /nfs/dbraw/zinc/56/82/73/616568273.db2.gz GWDAOZSMQLHSCX-GFCCVEGCSA-N 1 0 279.340 0.208 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000884232721 616632846 /nfs/dbraw/zinc/63/28/46/616632846.db2.gz YUGCVEWFLXRZHX-GFCCVEGCSA-N 1 0 293.367 0.842 20 10 CCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901102 616692943 /nfs/dbraw/zinc/69/29/43/616692943.db2.gz KSVBTLFYDWJIKM-NSHDSACASA-N 1 0 297.330 0.398 20 10 CCCDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000839539727 616695312 /nfs/dbraw/zinc/69/53/12/616695312.db2.gz NETIPTVJRULWPU-VIFPVBQESA-N 1 0 295.339 0.897 20 10 CCCDRO COC[C@@H]([NH3+])Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272445 616877886 /nfs/dbraw/zinc/87/78/86/616877886.db2.gz VIYDFFIHCDOMSH-ZDUSSCGKSA-N 1 0 289.383 0.909 20 10 CCCDRO COC[C@@H](OC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792468 616931484 /nfs/dbraw/zinc/93/14/84/616931484.db2.gz WYDYEBDLDSJZAJ-ZIAGYGMSSA-N 1 0 295.383 0.530 20 10 CCCDRO COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648885 616966317 /nfs/dbraw/zinc/96/63/17/616966317.db2.gz FAIPRAHGOMCMDN-OLZOCXBDSA-N 1 0 282.384 0.982 20 10 CCCDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(N)cc1 ZINC000843489748 617014077 /nfs/dbraw/zinc/01/40/77/617014077.db2.gz TVPVTIBAKLOWHQ-UHFFFAOYSA-N 1 0 279.384 0.848 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877465162 617021192 /nfs/dbraw/zinc/02/11/92/617021192.db2.gz VNGCKJZTGAQUPP-UHFFFAOYSA-N 1 0 258.343 0.339 20 10 CCCDRO COC[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCC[NH2+]1 ZINC000834764403 617045295 /nfs/dbraw/zinc/04/52/95/617045295.db2.gz LPNCTIQOJHKDTI-HNNXBMFYSA-N 1 0 277.368 0.696 20 10 CCCDRO CO[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274841 617146152 /nfs/dbraw/zinc/14/61/52/617146152.db2.gz ZREOMDIQZBQPPD-GXFFZTMASA-N 1 0 265.357 0.904 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000884223380 617164030 /nfs/dbraw/zinc/16/40/30/617164030.db2.gz PHSSGBKWHHNEBT-ZDUSSCGKSA-N 1 0 265.357 0.651 20 10 CCCDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000930509832 625342163 /nfs/dbraw/zinc/34/21/63/625342163.db2.gz NJJQYVBSUPAXJY-CQSZACIVSA-N 1 0 294.395 0.698 20 10 CCCDRO Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)c(O)c1O ZINC000924988764 631698121 /nfs/dbraw/zinc/69/81/21/631698121.db2.gz PTYRSOJKJGMPQX-ZJUUUORDSA-N 1 0 280.324 0.201 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000928704803 632544416 /nfs/dbraw/zinc/54/44/16/632544416.db2.gz DEVOHSNBHBRMRI-CYBMUJFWSA-N 1 0 293.342 0.537 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000187198397 640187776 /nfs/dbraw/zinc/18/77/76/640187776.db2.gz GMPMQIBNQZAZIX-SNVBAGLBSA-N 1 0 272.370 0.900 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000839165389 640304455 /nfs/dbraw/zinc/30/44/55/640304455.db2.gz IXGNKQIQSKVQMS-PELKAZGASA-N 1 0 257.717 0.831 20 10 CCCDRO C[C@H]([NH2+]CCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000839564008 640343291 /nfs/dbraw/zinc/34/32/91/640343291.db2.gz PRBRQKHNWGDVPX-JTQLQIEISA-N 1 0 278.356 0.988 20 10 CCCDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]21 ZINC000840134526 640860244 /nfs/dbraw/zinc/86/02/44/640860244.db2.gz XIQZJEAZMKIXLE-RIEGTJTDSA-N 1 0 290.363 0.954 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1O ZINC000827973407 642055127 /nfs/dbraw/zinc/05/51/27/642055127.db2.gz OOOAFFXWEGVMLF-JSGCOSHPSA-N 1 0 289.379 0.959 20 10 CCCDRO C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[NH2+]1 ZINC000841955841 642861016 /nfs/dbraw/zinc/86/10/16/642861016.db2.gz PKRMJCIKVWPFTC-NSHDSACASA-N 1 0 262.357 0.815 20 10 CCCDRO COc1cc(O)c(CN2CCN(C)C[C@@H]2C[NH3+])cc1OC ZINC000843122240 643005065 /nfs/dbraw/zinc/00/50/65/643005065.db2.gz 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CN1CC[N@H+](C)C[C@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001185258465 844383046 /nfs/dbraw/zinc/38/30/46/844383046.db2.gz SXOQEPPUAXLLMI-AWEZNQCLSA-N 1 0 289.379 0.523 20 10 CCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001136761695 839751884 /nfs/dbraw/zinc/75/18/84/839751884.db2.gz UHYLPMYUZPSERZ-LBPRGKRZSA-N 1 0 293.367 0.002 20 10 CCCDRO CN1C[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1=O ZINC001144508641 840067219 /nfs/dbraw/zinc/06/72/19/840067219.db2.gz TYJHJNASIHGPLS-SCZZXKLOSA-N 1 0 278.308 0.323 20 10 CCCDRO CC(=O)N(C)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509071 840073016 /nfs/dbraw/zinc/07/30/16/840073016.db2.gz KBZYJIWDOBPFFK-UHFFFAOYSA-N 1 0 266.297 0.466 20 10 CCCDRO CN(CC1C[NH+](C)C1)C(=O)Cc1ccc(O)c(O)c1 ZINC001146319955 840288130 /nfs/dbraw/zinc/28/81/30/840288130.db2.gz MTQSHJKUJGAZRR-UHFFFAOYSA-N 1 0 264.325 0.660 20 10 CCCDRO C[N@H+](C1CN(C(=O)c2cccc(O)c2O)C1)[C@H]1CCOC1 ZINC001148219250 840766159 /nfs/dbraw/zinc/76/61/59/840766159.db2.gz YNNLACDOXCFDRG-JTQLQIEISA-N 1 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FXNQNXFCQARHSP-UHFFFAOYSA-N 1 0 293.367 0.633 20 10 CCCDRO CN1C[C@@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001275112842 900995836 /nfs/dbraw/zinc/99/58/36/900995836.db2.gz UMTOEISIECMCAV-JOYOIKCWSA-N 1 0 264.325 0.939 20 10 CCCDRO Oc1cccc(F)c1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050855 903968393 /nfs/dbraw/zinc/96/83/93/903968393.db2.gz FLWLUQCLJMJMDY-CQSZACIVSA-N 1 0 265.332 0.669 20 10 CCCDRO Nc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC001337837851 921297875 /nfs/dbraw/zinc/29/78/75/921297875.db2.gz HFTKVUXICHARLG-UHFFFAOYSA-N 1 0 269.370 0.522 20 10 CCCDRO COC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001338521433 921497001 /nfs/dbraw/zinc/49/70/01/921497001.db2.gz OMRFJFBNIUTPFS-OCCSQVGLSA-N 1 0 280.368 0.871 20 10 CCCDRO COCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N)cc1 ZINC001338793417 921576098 /nfs/dbraw/zinc/57/60/98/921576098.db2.gz PFLHYRDZXMWFNZ-CQSZACIVSA-N 1 0 292.383 0.789 20 10 CCCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(N)=O ZINC001321296835 911211787 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C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242725 922398072 /nfs/dbraw/zinc/39/80/72/922398072.db2.gz RXWQPXBBAMUUOM-WFASDCNBSA-N 1 0 288.395 0.316 20 10 CCCDRO Nc1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC001342023965 922768466 /nfs/dbraw/zinc/76/84/66/922768466.db2.gz YOFYNCDCXGIEMA-NSHDSACASA-N 1 0 285.351 0.999 20 10 CCCDRO Nc1ccc(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC001342699408 923056887 /nfs/dbraw/zinc/05/68/87/923056887.db2.gz LHXXZXGRVRHQMY-JQWIXIFHSA-N 1 0 251.305 0.833 20 10 CCCDRO Nc1ccc(CC(=O)Nc2cc3n(n2)CCNC3)cc1 ZINC001342912460 923131919 /nfs/dbraw/zinc/13/19/19/923131919.db2.gz DUXWWHVSGLPKOI-UHFFFAOYSA-N 1 0 271.324 0.750 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC001344369900 923587735 /nfs/dbraw/zinc/58/77/35/923587735.db2.gz YDYWSUKIQIWNIP-BXKDBHETSA-N 1 0 251.330 0.448 20 10 CCCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1c(O)cccc1F ZINC001344822495 923697550 /nfs/dbraw/zinc/69/75/50/923697550.db2.gz RMVXUUANYPOFFM-SNVBAGLBSA-N 1 0 256.277 0.246 20 10 CCCDRO O=C(C[C@H]1COCC[NH2+]1)NCc1c(O)cccc1F ZINC001358167037 926648861 /nfs/dbraw/zinc/64/88/61/926648861.db2.gz AKMRWZQINUVQSY-VIFPVBQESA-N 1 0 268.288 0.526 20 10 CCCDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593257430 994529201 /nfs/dbraw/zinc/52/92/01/994529201.db2.gz NNJGAYUPCXCBOP-QMMMGPOBSA-N 1 0 250.298 0.960 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037823772 348211543 /nfs/dbraw/zinc/21/15/43/348211543.db2.gz LDKSRWCLBKWSBB-GHMZBOCLSA-N 1 0 250.298 0.073 20 10 CCCDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000159486182 350679301 /nfs/dbraw/zinc/67/93/01/350679301.db2.gz NEOSHLBFGHHUGR-UHFFFAOYSA-N 1 0 290.363 0.960 20 10 CCCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000263792692 352594425 /nfs/dbraw/zinc/59/44/25/352594425.db2.gz YMGQLHKCFRCCSB-SNVBAGLBSA-N 1 0 250.298 0.721 20 10 CCCDRO COC(=O)c1cn(CC[NH2+]Cc2cc(C)ccc2O)nn1 ZINC000283872897 353534938 /nfs/dbraw/zinc/53/49/38/353534938.db2.gz GRVKLJAJBJNDSK-UHFFFAOYSA-N 1 0 290.323 0.869 20 10 CCCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000288457474 353686460 /nfs/dbraw/zinc/68/64/60/353686460.db2.gz DJJQTZWWULLVQU-WCBMZHEXSA-N 1 0 299.348 0.644 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296305845 353940894 /nfs/dbraw/zinc/94/08/94/353940894.db2.gz DVDWLYPFFYJMRN-JTQLQIEISA-N 1 0 270.354 0.518 20 10 CCCDRO CNC(=O)C1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000297319517 353960979 /nfs/dbraw/zinc/96/09/79/353960979.db2.gz DANKPPIZMYVPEU-UHFFFAOYSA-N 1 0 250.298 0.579 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@@H]2COCCN2)c1O ZINC000530181011 285558483 /nfs/dbraw/zinc/55/84/83/285558483.db2.gz ISJZGIBSAHFCAO-GFCCVEGCSA-N 1 0 266.341 0.869 20 10 CCCDRO COC[C@@H](O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000231608283 333326085 /nfs/dbraw/zinc/32/60/85/333326085.db2.gz YEWZXZGUTCVNCI-JTQLQIEISA-N 1 0 269.297 0.608 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000279780144 522303582 /nfs/dbraw/zinc/30/35/82/522303582.db2.gz LHGIKRRPUAGHFI-LLVKDONJSA-N 1 0 256.321 0.989 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000265612550 523866910 /nfs/dbraw/zinc/86/69/10/523866910.db2.gz OILPQUHLWPXAGV-CYBMUJFWSA-N 1 0 293.367 0.912 20 10 CCCDRO COC(=O)c1cn(CC[NH2+]Cc2cc(F)ccc2O)nn1 ZINC000793612564 581304813 /nfs/dbraw/zinc/30/48/13/581304813.db2.gz UXDKGURDWSXYFG-UHFFFAOYSA-N 1 0 294.286 0.699 20 10 CCCDRO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000788020731 581370380 /nfs/dbraw/zinc/37/03/80/581370380.db2.gz SRFTXQWMQYZXBZ-ZDUSSCGKSA-N 1 0 253.298 0.748 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785986745 581426401 /nfs/dbraw/zinc/42/64/01/581426401.db2.gz XEXOQDNVZLUBGF-NSHDSACASA-N 1 0 270.354 0.563 20 10 CCCDRO COCC[N@H+](CCO)Cc1c(O)cccc1OC ZINC000769312213 581683012 /nfs/dbraw/zinc/68/30/12/581683012.db2.gz KHALKGQPMILCIQ-UHFFFAOYSA-N 1 0 255.314 0.842 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnnn2C)c1 ZINC000756678796 581933506 /nfs/dbraw/zinc/93/35/06/581933506.db2.gz YHYKFBFJGVTIOS-VIFPVBQESA-N 1 0 277.328 0.818 20 10 CCCDRO COc1c(O)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000774914215 582002474 /nfs/dbraw/zinc/00/24/74/582002474.db2.gz MICGFSKGMLMKOG-GHMZBOCLSA-N 1 0 293.323 0.960 20 10 CCCDRO COc1c(O)c(C[NH2+][C@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000775048186 582010405 /nfs/dbraw/zinc/01/04/05/582010405.db2.gz HCHSBAOWAPMEAC-MRVPVSSYSA-N 1 0 297.311 0.875 20 10 CCCDRO CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462436 582107169 /nfs/dbraw/zinc/10/71/69/582107169.db2.gz LJZHSALKHNZGTL-ZDUSSCGKSA-N 1 0 294.351 0.776 20 10 CCCDRO CS(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921602541 617174550 /nfs/dbraw/zinc/17/45/50/617174550.db2.gz SASWJRHZMBTZBR-UHFFFAOYSA-N 1 0 284.381 0.650 20 10 CCCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955784 617176956 /nfs/dbraw/zinc/17/69/56/617176956.db2.gz NHFZBHLGYKRXDQ-NXEZZACHSA-N 1 0 250.346 0.846 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)C3([NH3+])CC3)C2)cc1 ZINC000851639358 617268268 /nfs/dbraw/zinc/26/82/68/617268268.db2.gz DNUHXAKDWCPWQE-NSHDSACASA-N 1 0 275.352 0.881 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)cc1 ZINC000851639378 617268270 /nfs/dbraw/zinc/26/82/70/617268270.db2.gz DTJJCUIPVFIHKW-LBPRGKRZSA-N 1 0 289.379 1.000 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000828667701 617274045 /nfs/dbraw/zinc/27/40/45/617274045.db2.gz TXEPCOQYGKKVKJ-PWSUYJOCSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C[NH3+])OC)c1 ZINC000828667526 617274131 /nfs/dbraw/zinc/27/41/31/617274131.db2.gz RWFIZSRBBUEAIY-KOLCDFICSA-N 1 0 282.340 0.942 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858249177 617300518 /nfs/dbraw/zinc/30/05/18/617300518.db2.gz LNJOFRXMCVZHCO-MGCOHNPYSA-N 1 0 250.298 0.754 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1O ZINC000842003502 617298986 /nfs/dbraw/zinc/29/89/86/617298986.db2.gz IFBRTWPHPWIPEY-IUCAKERBSA-N 1 0 267.329 0.936 20 10 CCCDRO COc1cccc(C[NH2+]CCN2CCNC2=O)c1O ZINC000886324272 617299857 /nfs/dbraw/zinc/29/98/57/617299857.db2.gz GDSVQKWVXUIYAT-UHFFFAOYSA-N 1 0 265.313 0.516 20 10 CCCDRO CCO[C@@H](CNC(=O)c1cccc(O)c1O)C[NH+](C)C ZINC000831724822 615409079 /nfs/dbraw/zinc/40/90/79/615409079.db2.gz SNTCVBZGMJDGHE-JTQLQIEISA-N 1 0 282.340 0.794 20 10 CCCDRO CCOc1ccc(C[NH+]2CC(C(=O)NC)C2)c(O)c1 ZINC000839144783 615510232 /nfs/dbraw/zinc/51/02/32/615510232.db2.gz VWXMCSOVGFZLSJ-UHFFFAOYSA-N 1 0 264.325 0.969 20 10 CCCDRO CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927022237 615535821 /nfs/dbraw/zinc/53/58/21/615535821.db2.gz DWYFOKTXSIJLED-CMPLNLGQSA-N 1 0 287.381 0.838 20 10 CCCDRO C[NH+](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841958483 615900726 /nfs/dbraw/zinc/90/07/26/615900726.db2.gz GBAZCZHWMFEVTB-UHFFFAOYSA-N 1 0 250.346 0.672 20 10 CCCDRO CN(C)C(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877150000 615970965 /nfs/dbraw/zinc/97/09/65/615970965.db2.gz JHNRIPITGBBGQE-UHFFFAOYSA-N 1 0 291.395 0.826 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1F ZINC000877764382 616014542 /nfs/dbraw/zinc/01/45/42/616014542.db2.gz CKZDXRXMPGRXEQ-BETUJISGSA-N 1 0 282.359 0.924 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cncnc2)cc1 ZINC000832285583 616019076 /nfs/dbraw/zinc/01/90/76/616019076.db2.gz SBQBHSYNTYCRGZ-HNNXBMFYSA-N 1 0 299.378 0.901 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnnc2)cc1 ZINC000832267056 616019272 /nfs/dbraw/zinc/01/92/72/616019272.db2.gz MEDKXPWFCHDCPH-AWEZNQCLSA-N 1 0 285.351 0.972 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852816753 616170788 /nfs/dbraw/zinc/17/07/88/616170788.db2.gz FIJJSMAEXVNQRH-DGCLKSJQSA-N 1 0 264.325 0.714 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cccc(OC)c1O ZINC000843123992 616398832 /nfs/dbraw/zinc/39/88/32/616398832.db2.gz SWLMJFFHZWZOFH-LBPRGKRZSA-N 1 0 294.351 0.738 20 10 CCCDRO C[NH2+]CCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844223773 616956617 /nfs/dbraw/zinc/95/66/17/616956617.db2.gz BVZWSYMZMJYNEX-UHFFFAOYSA-N 1 0 278.400 0.520 20 10 CCCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(N)cc2)C1 ZINC000876528005 617112075 /nfs/dbraw/zinc/11/20/75/617112075.db2.gz ODPUFMUXBPPSME-UKRRQHHQSA-N 1 0 277.368 0.695 20 10 CCCDRO CNC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044988837 622699997 /nfs/dbraw/zinc/69/99/97/622699997.db2.gz QKGAJSDZYULAHN-UHFFFAOYSA-N 1 0 277.368 0.749 20 10 CCCDRO C[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248324 624792394 /nfs/dbraw/zinc/79/23/94/624792394.db2.gz KSOIMYMIXRJZTL-BXUZGUMPSA-N 1 0 279.384 0.852 20 10 CCCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879886 634710527 /nfs/dbraw/zinc/71/05/27/634710527.db2.gz LQLBYSNDQPQPEK-JTQLQIEISA-N 1 0 278.308 0.879 20 10 CCCDRO Cc1cccc(CN2CCC[C@@]([NH3+])(CO)C2)c1O ZINC000904402779 634742521 /nfs/dbraw/zinc/74/25/21/634742521.db2.gz SFXBLZHYXWHGRP-AWEZNQCLSA-N 1 0 250.342 0.986 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897060810 632385659 /nfs/dbraw/zinc/38/56/59/632385659.db2.gz IAJNRPKZQKJZJE-NSHDSACASA-N 1 0 284.381 0.811 20 10 CCCDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccccc1O ZINC000228422011 637057913 /nfs/dbraw/zinc/05/79/13/637057913.db2.gz DTGOOMBSDQWNJW-LLVKDONJSA-N 1 0 250.298 0.387 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000068981216 638283628 /nfs/dbraw/zinc/28/36/28/638283628.db2.gz FITIQVOYLWSEAK-UHFFFAOYSA-N 1 0 288.369 0.430 20 10 CCCDRO Cc1cc(O)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1C ZINC000189704643 638893643 /nfs/dbraw/zinc/89/36/43/638893643.db2.gz RNEIUZSDVWXCOK-UHFFFAOYSA-N 1 0 298.408 0.990 20 10 CCCDRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922826609 639798989 /nfs/dbraw/zinc/79/89/89/639798989.db2.gz DDSIJKLFRLLGTF-GFCCVEGCSA-N 1 0 285.365 0.117 20 10 CCCDRO [NH3+]CCOCC(=O)NCCCSc1nccs1 ZINC000829528261 642170771 /nfs/dbraw/zinc/17/07/71/642170771.db2.gz NQMGKEOPQMMJRR-UHFFFAOYSA-N 1 0 275.399 0.717 20 10 CCCDRO C[C@H](O)CN1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000832490616 642487986 /nfs/dbraw/zinc/48/79/86/642487986.db2.gz OESPASYEFIWYNF-ZJUUUORDSA-N 1 0 284.381 0.981 20 10 CCCDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000843058853 642980771 /nfs/dbraw/zinc/98/07/71/642980771.db2.gz ZMMYTUYNYNMPDH-LKFCYVNXSA-N 1 0 280.324 0.669 20 10 CCCDRO C[C@@H](C[NH3+])N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844218551 643183780 /nfs/dbraw/zinc/18/37/80/643183780.db2.gz CGNRCIOVSQVJLM-LBPRGKRZSA-N 1 0 278.400 0.648 20 10 CCCDRO C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1O ZINC000870988384 646074234 /nfs/dbraw/zinc/07/42/34/646074234.db2.gz OCFSGVKGTLCZIM-MNOVXSKESA-N 1 0 264.325 0.948 20 10 CCCDRO Cc1ccc(C[NH2+]CCNS(C)(=O)=O)c(O)c1 ZINC000876875807 646689057 /nfs/dbraw/zinc/68/90/57/646689057.db2.gz BFBADRNPVZTUPG-UHFFFAOYSA-N 1 0 258.343 0.339 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000877488776 646819405 /nfs/dbraw/zinc/81/94/05/646819405.db2.gz IWOABZXDTNTSSJ-OAHLLOKOSA-N 1 0 289.335 0.875 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1ccccc1O ZINC000879653331 647090079 /nfs/dbraw/zinc/09/00/79/647090079.db2.gz OBXJFSFZUWYXQQ-VIFPVBQESA-N 1 0 263.297 0.595 20 10 CCCDRO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc(N2CCOCC2)cc1 ZINC000930210122 648836535 /nfs/dbraw/zinc/83/65/35/648836535.db2.gz KJKHYXIQVLAJTG-IUODEOHRSA-N 1 0 280.368 0.527 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC000089755956 649663055 /nfs/dbraw/zinc/66/30/55/649663055.db2.gz WWYFRDWDGPJELN-KCJUWKMLSA-N 1 0 278.308 0.857 20 10 CCCDRO COc1cc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)cc1O ZINC001231634590 805822050 /nfs/dbraw/zinc/82/20/50/805822050.db2.gz OXBSAEJNEXNSOM-CQSZACIVSA-N 1 0 283.324 0.690 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H]3C[C@@]32C(N)=O)c(OC)c1 ZINC001277588056 805868508 /nfs/dbraw/zinc/86/85/08/805868508.db2.gz CZZCZDFHKSBJPC-PSLIRLAXSA-N 1 0 292.335 0.859 20 10 CCCDRO CC[N@H+](CCC(N)=O)Cc1cc(O)c(O)c(O)c1 ZINC001233013854 806006335 /nfs/dbraw/zinc/00/63/35/806006335.db2.gz VODOZTRAFZSKIA-UHFFFAOYSA-N 1 0 254.286 0.501 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCN1C ZINC001233486709 806061613 /nfs/dbraw/zinc/06/16/13/806061613.db2.gz YQGPYRPRVNQKRC-JTQLQIEISA-N 1 0 296.323 0.092 20 10 CCCDRO C[N@@H+]1CCCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482276 806058964 /nfs/dbraw/zinc/05/89/64/806058964.db2.gz HUNYRSMZHMGIOM-UHFFFAOYSA-N 1 0 252.314 0.941 20 10 CCCDRO C[N@H+]1C[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001233486729 806060733 /nfs/dbraw/zinc/06/07/33/806060733.db2.gz ZKOAJAADJRPNOV-PHIMTYICSA-N 1 0 264.325 0.797 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486324 806061121 /nfs/dbraw/zinc/06/11/21/806061121.db2.gz ITGBMOUOZDYWNB-WOFXILAISA-N 1 0 279.292 0.654 20 10 CCCDRO COc1cccc(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234981170 806325770 /nfs/dbraw/zinc/32/57/70/806325770.db2.gz HYCBALUJPIJBBB-OAHLLOKOSA-N 1 0 277.368 0.538 20 10 CCCDRO CCOc1cccc(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234983096 806328237 /nfs/dbraw/zinc/32/82/37/806328237.db2.gz SSAJGYMXPRDEKC-MRXNPFEDSA-N 1 0 291.395 0.928 20 10 CCCDRO COc1cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc(O)c1O ZINC001235052313 806356315 /nfs/dbraw/zinc/35/63/15/806356315.db2.gz OTFYVZDUQMJSQR-OAHLLOKOSA-N 1 0 293.367 0.244 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(O)cccc1F ZINC001236054878 806537379 /nfs/dbraw/zinc/53/73/79/806537379.db2.gz JFPGABDODVJIQD-NSHDSACASA-N 1 0 268.288 0.478 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(C)cccc2O)C[C@@H]1[NH3+] ZINC001236354706 806585065 /nfs/dbraw/zinc/58/50/65/806585065.db2.gz PKVFANQMNZWYBE-RYUDHWBXSA-N 1 0 264.325 0.633 20 10 CCCDRO CCc1ccc(CN2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001236791777 806610327 /nfs/dbraw/zinc/61/03/27/806610327.db2.gz KSUZGPWHBMWMQQ-CYBMUJFWSA-N 1 0 264.325 0.641 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCN1C ZINC001237493533 806675338 /nfs/dbraw/zinc/67/53/38/806675338.db2.gz ZLULTWDZUJEDKT-ZDUSSCGKSA-N 1 0 278.352 0.990 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)CCN1C ZINC001237493532 806675707 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ZINC001141026093 799973372 /nfs/dbraw/zinc/97/33/72/799973372.db2.gz CKSIPKWIWALHMB-SECBINFHSA-N 1 0 271.313 0.194 20 10 CCCDRO NC(=O)[C@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254689 806792882 /nfs/dbraw/zinc/79/28/82/806792882.db2.gz DMAHTAHICZOQRY-SNVBAGLBSA-N 1 0 250.273 0.839 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)ccc21 ZINC001141140240 799983839 /nfs/dbraw/zinc/98/38/39/799983839.db2.gz JUPVAASVYKMGSH-DZGCQCFKSA-N 1 0 292.379 0.690 20 10 CCCDRO O=C1COC2(CC[NH+](Cc3cc(O)ccc3O)CC2)CN1 ZINC001141159292 799985101 /nfs/dbraw/zinc/98/51/01/799985101.db2.gz CPAHHRBURBTHPV-UHFFFAOYSA-N 1 0 292.335 0.579 20 10 CCCDRO COCCn1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1=O ZINC001241614114 806975025 /nfs/dbraw/zinc/97/50/25/806975025.db2.gz JDWAPPSEGFVDJD-UHFFFAOYSA-N 1 0 274.324 0.503 20 10 CCCDRO C[C@H]1Oc2ccc(N(CC[NH3+])CCO)cc2NC1=O ZINC001163831568 802621048 /nfs/dbraw/zinc/62/10/48/802621048.db2.gz FOXISLQFNVDCDO-SECBINFHSA-N 1 0 265.313 0.163 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001203629864 803038689 /nfs/dbraw/zinc/03/86/89/803038689.db2.gz NBTOJCRVTJWXNH-YPMHNXCESA-N 1 0 276.336 0.921 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1 ZINC001203670209 803040967 /nfs/dbraw/zinc/04/09/67/803040967.db2.gz LGQDUHIWKVPQPC-GJZGRUSLSA-N 1 0 281.352 0.966 20 10 CCCDRO C[NH+]1CCN(C2CN(Cc3ccc(O)c(O)c3)C2)CC1 ZINC001203881880 803050859 /nfs/dbraw/zinc/05/08/59/803050859.db2.gz WOSGIPFSYVEULV-UHFFFAOYSA-N 1 0 277.368 0.529 20 10 CCCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203884605 803051366 /nfs/dbraw/zinc/05/13/66/803051366.db2.gz VMPJGTQUWKGUEK-NSHDSACASA-N 1 0 281.308 0.862 20 10 CCCDRO CN1CCC[N@H+](Cc2ccc(O)cc2O)CC1=O ZINC001204278781 803075828 /nfs/dbraw/zinc/07/58/28/803075828.db2.gz JWRHNMAJVRRPAR-UHFFFAOYSA-N 1 0 250.298 0.762 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc(O)cc1O ZINC001204281574 803076651 /nfs/dbraw/zinc/07/66/51/803076651.db2.gz WOYNGGXWYMAVNZ-LBPRGKRZSA-N 1 0 266.341 0.860 20 10 CCCDRO C[NH+]1CCN(C2CN(Cc3ccc(O)cc3O)C2)CC1 ZINC001204278059 803076789 /nfs/dbraw/zinc/07/67/89/803076789.db2.gz RHKKUMHXNGAHDQ-UHFFFAOYSA-N 1 0 277.368 0.529 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001205352283 803136531 /nfs/dbraw/zinc/13/65/31/803136531.db2.gz HREAARVBWRBAEM-HUUCEWRRSA-N 1 0 277.368 0.027 20 10 CCCDRO [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001205688458 803156181 /nfs/dbraw/zinc/15/61/81/803156181.db2.gz HXOWPSMFIJPSMG-HNNXBMFYSA-N 1 0 294.351 0.766 20 10 CCCDRO [NH3+][C@@H](CC(F)F)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490263 804613183 /nfs/dbraw/zinc/61/31/83/804613183.db2.gz ZEFVVRJWFJGGNN-ZETCQYMHSA-N 1 0 288.250 0.379 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CN1 ZINC001246276596 807206215 /nfs/dbraw/zinc/20/62/15/807206215.db2.gz DFUOPPMICFOGSS-ZJUUUORDSA-N 1 0 266.297 0.091 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CN1CCOCC1 ZINC001251035716 807650345 /nfs/dbraw/zinc/65/03/45/807650345.db2.gz LRKPOFOSNDARPW-OAHLLOKOSA-N 1 0 292.379 0.404 20 10 CCCDRO CC[NH+](CC)C[C@@H](O)CNCCc1cc(O)c(O)cc1O ZINC001253205518 808030312 /nfs/dbraw/zinc/03/03/12/808030312.db2.gz DGROSFUURSOGPE-LBPRGKRZSA-N 1 0 298.383 0.638 20 10 CCCDRO O=S(=O)(NCc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000722215225 812002519 /nfs/dbraw/zinc/00/25/19/812002519.db2.gz WIUWRWCFAUOZIC-LLVKDONJSA-N 1 0 270.354 0.564 20 10 CCCDRO C[N@@H+]1CCC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 ZINC001270069998 813613700 /nfs/dbraw/zinc/61/37/00/813613700.db2.gz RXOIRKPOVPZPMI-UHFFFAOYSA-N 1 0 278.308 0.581 20 10 CCCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001120371142 816038696 /nfs/dbraw/zinc/03/86/96/816038696.db2.gz SIYJFDPWJQEYGM-ZDUSSCGKSA-N 1 0 263.341 0.606 20 10 CCCDRO OC[C@@H]1C[C@@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483159 816324991 /nfs/dbraw/zinc/32/49/91/816324991.db2.gz PJWBCMUKSOZJRH-PSASIEDQSA-N 1 0 271.288 0.956 20 10 CCCDRO C[C@@]1(C(=O)NCc2ccccc2O)C[NH2+]CCO1 ZINC000710822151 819845598 /nfs/dbraw/zinc/84/55/98/819845598.db2.gz NWZVIWMKRHFUDH-ZDUSSCGKSA-N 1 0 250.298 0.387 20 10 CCCDRO CC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001169563960 836356242 /nfs/dbraw/zinc/35/62/42/836356242.db2.gz AJKQFKOBCPSPQW-SWLSCSKDSA-N 1 0 294.351 0.732 20 10 CCCDRO C[NH+]1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001136076615 839519599 /nfs/dbraw/zinc/51/95/99/839519599.db2.gz RAHZLCXLKJAIKP-UHFFFAOYSA-N 1 0 293.367 0.004 20 10 CCCDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509253 840072780 /nfs/dbraw/zinc/07/27/80/840072780.db2.gz QLTLYUFYHHMPPE-SECBINFHSA-N 1 0 287.337 0.422 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000717404006 848255814 /nfs/dbraw/zinc/25/58/14/848255814.db2.gz LBUIKXKJIHRYAV-GHMZBOCLSA-N 1 0 268.357 0.974 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C2COCCOC2)c1 ZINC000386277827 853926943 /nfs/dbraw/zinc/92/69/43/853926943.db2.gz YWRDTYZYTWXOGK-UHFFFAOYSA-N 1 0 253.298 0.906 20 10 CCCDRO Nc1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1 ZINC001336116551 907335485 /nfs/dbraw/zinc/33/54/85/907335485.db2.gz GCRCBYUOVHHSHM-UHFFFAOYSA-N 1 0 279.384 0.395 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2CC2)cc1C ZINC001320187640 910502974 /nfs/dbraw/zinc/50/29/74/910502974.db2.gz LYHYUWFZCYTTLG-AWEZNQCLSA-N 1 0 292.379 0.980 20 10 CCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329504157 915970838 /nfs/dbraw/zinc/97/08/38/915970838.db2.gz HIBPOXCLDGXLIC-VIFPVBQESA-N 1 0 277.324 0.040 20 10 CCCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC001329936525 916291743 /nfs/dbraw/zinc/29/17/43/916291743.db2.gz GZEONGQDFSUSAO-MRVPVSSYSA-N 1 0 260.301 0.486 20 10 CCCDRO COC(=O)[C@@H]1C[NH+](Cc2ccc(N)cc2)C[C@H]1C(=O)OC ZINC001334753231 919743420 /nfs/dbraw/zinc/74/34/20/919743420.db2.gz BIWUFYGNMNIKHI-CHWSQXEVSA-N 1 0 292.335 0.663 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H]2COCCN2C)c(O)c1OC ZINC001335093768 919950895 /nfs/dbraw/zinc/95/08/95/919950895.db2.gz JVGNWOSEILFMKT-GFCCVEGCSA-N 1 0 296.367 0.830 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC001339836345 921844275 /nfs/dbraw/zinc/84/42/75/921844275.db2.gz GTPRHTOEQYBSGT-MFKMUULPSA-N 1 0 266.341 0.567 20 10 CCCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001341766258 922660960 /nfs/dbraw/zinc/66/09/60/922660960.db2.gz NVQHYVGNKAUYKF-KOLCDFICSA-N 1 0 254.261 0.264 20 10 CCCDRO COC[C@@]1(C(=O)NCc2c(O)cccc2F)C[NH2+]CCO1 ZINC001342535528 922992593 /nfs/dbraw/zinc/99/25/93/922992593.db2.gz JFIJBQHANSQZEM-CQSZACIVSA-N 1 0 298.314 0.153 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2(C[NH3+])CC(O)C2)cc1F ZINC001343408305 923303365 /nfs/dbraw/zinc/30/33/65/923303365.db2.gz XGDYGSAXKVZQHR-UHFFFAOYSA-N 1 0 295.358 0.608 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1c(O)cccc1F ZINC001349385467 924945284 /nfs/dbraw/zinc/94/52/84/924945284.db2.gz ZRCHDHWOSIFTHX-MFKMUULPSA-N 1 0 293.342 0.536 20 10 CCCDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1O ZINC001350225778 925151261 /nfs/dbraw/zinc/15/12/61/925151261.db2.gz 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ZINC001022367972 624938612 /nfs/dbraw/zinc/93/86/12/624938612.db2.gz NTKPOOHVIKTRTI-PHIMTYICSA-N 1 0 279.340 0.969 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000892039404 625043107 /nfs/dbraw/zinc/04/31/07/625043107.db2.gz STUHYDPCJARVNP-AULYBMBSSA-N 1 0 262.357 0.848 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCCc1nnnn1C ZINC000898037652 633271396 /nfs/dbraw/zinc/27/13/96/633271396.db2.gz UASSTHGHHFUQDO-UHFFFAOYSA-N 1 0 261.329 0.947 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224790710 636927278 /nfs/dbraw/zinc/92/72/78/636927278.db2.gz PYFKAUJIFXCBFW-UHFFFAOYSA-N 1 0 288.369 0.430 20 10 CCCDRO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)ccc1N(C)C ZINC000839171447 640304808 /nfs/dbraw/zinc/30/48/08/640304808.db2.gz FZDMAQBNEBEFAZ-HIFRSBDPSA-N 1 0 264.369 0.846 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000827474649 642008665 /nfs/dbraw/zinc/00/86/65/642008665.db2.gz HXSTVIWIDKETBI-UHFFFAOYSA-N 1 0 251.326 0.877 20 10 CCCDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccccc1O ZINC000828016246 642058900 /nfs/dbraw/zinc/05/89/00/642058900.db2.gz WKUIIIFYFJEILR-GFCCVEGCSA-N 1 0 264.325 0.777 20 10 CCCDRO Nc1ccc(CC(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000831822740 642398733 /nfs/dbraw/zinc/39/87/33/642398733.db2.gz MJYSUPQVSZASMX-UHFFFAOYSA-N 1 0 291.395 0.774 20 10 CCCDRO Nc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000832244086 642465523 /nfs/dbraw/zinc/46/55/23/642465523.db2.gz JWVRBFAJEGTHSA-NSHDSACASA-N 1 0 262.313 0.076 20 10 CCCDRO [NH3+][C@@H](CNCc1cc2c(cc1O)OCO2)C1CC1 ZINC000841049270 642801102 /nfs/dbraw/zinc/80/11/02/642801102.db2.gz ISBTUHQAAKFPMX-JTQLQIEISA-N 1 0 250.298 0.948 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CNCCO1)OCO2 ZINC000841099762 642803238 /nfs/dbraw/zinc/80/32/38/642803238.db2.gz XOXXKIKKOYJQDM-SNVBAGLBSA-N 1 0 266.297 0.199 20 10 CCCDRO Nc1ccc(CCNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000841956112 642860619 /nfs/dbraw/zinc/86/06/19/642860619.db2.gz VLJWOTGVSKTENY-CYBMUJFWSA-N 1 0 262.357 0.944 20 10 CCCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203745 642882505 /nfs/dbraw/zinc/88/25/05/642882505.db2.gz XBYXNMVDGHSOOC-WDEREUQCSA-N 1 0 292.383 0.393 20 10 CCCDRO O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000843066073 642984413 /nfs/dbraw/zinc/98/44/13/642984413.db2.gz RZCZJRWAPYCLLB-CQSZACIVSA-N 1 0 289.379 0.788 20 10 CCCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065353 642985573 /nfs/dbraw/zinc/98/55/73/642985573.db2.gz LBWZJPJHBXVZRN-UHFFFAOYSA-N 1 0 291.395 0.860 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(CO)OC ZINC000848560704 643652012 /nfs/dbraw/zinc/65/20/12/643652012.db2.gz QEFXGOJAEYZWEP-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO Oc1cc2c(cc1CN1CC[N@@H+]3C[C@H](O)C[C@H]3C1)OCO2 ZINC000848926255 643690341 /nfs/dbraw/zinc/69/03/41/643690341.db2.gz NHUXECNMGVOBEE-NWDGAFQWSA-N 1 0 292.335 0.372 20 10 CCCDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000858249512 644602466 /nfs/dbraw/zinc/60/24/66/644602466.db2.gz RJXWLHBSYOEIRE-XWEPSHTISA-N 1 0 264.281 0.474 20 10 CCCDRO OCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000118906874 644995928 /nfs/dbraw/zinc/99/59/28/644995928.db2.gz NNGRWNUICQTTFB-UHFFFAOYSA-N 1 0 251.282 0.983 20 10 CCCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863320079 645080312 /nfs/dbraw/zinc/08/03/12/645080312.db2.gz HDQQBBRFZJLLJD-FXMSTWTQSA-N 1 0 292.335 0.294 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000877185561 646752315 /nfs/dbraw/zinc/75/23/15/646752315.db2.gz TZVGFQOPRITVDP-UHFFFAOYSA-N 1 0 274.324 0.943 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)c(O)c1 ZINC000877624527 646829510 /nfs/dbraw/zinc/82/95/10/646829510.db2.gz POWVOVBWFVYNKW-OAHLLOKOSA-N 1 0 281.352 0.958 20 10 CCCDRO Cc1ccc(C[N@H+](C)CCS(N)(=O)=O)c(O)c1 ZINC000877826130 646846538 /nfs/dbraw/zinc/84/65/38/646846538.db2.gz QNGIZAJIIYSRBA-UHFFFAOYSA-N 1 0 258.343 0.421 20 10 CCCDRO COc1cc(CN2CCOC[C@@H]2C[NH+](C)C)c(O)cc1O ZINC001231638149 805823845 /nfs/dbraw/zinc/82/38/45/805823845.db2.gz 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COc1cccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1O ZINC000019899967 617300410 /nfs/dbraw/zinc/30/04/10/617300410.db2.gz DGDDSZPFZRSTIJ-JTQLQIEISA-N 1 0 271.338 0.678 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C)c1O ZINC000925411002 617299043 /nfs/dbraw/zinc/29/90/43/617299043.db2.gz LZNPUSKIMKRIFU-LLVKDONJSA-N 1 0 279.340 0.904 20 10 CCCDRO COc1cccc(O)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926324 617305372 /nfs/dbraw/zinc/30/53/72/617305372.db2.gz OZAWFCDLOUOVSD-NWDGAFQWSA-N 1 0 278.352 0.652 20 10 CCCDRO CCOCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292510 615231665 /nfs/dbraw/zinc/23/16/65/615231665.db2.gz HVIPOQYQBOMMGZ-ZDUSSCGKSA-N 1 0 265.357 0.905 20 10 CCCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1O ZINC000848917013 615683422 /nfs/dbraw/zinc/68/34/22/615683422.db2.gz ZJVRFNSVJRAXIW-AWEZNQCLSA-N 1 0 299.392 0.594 20 10 CCCDRO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000835028109 616011524 /nfs/dbraw/zinc/01/15/24/616011524.db2.gz JIDOABKPNOPFHU-MRINAFOASA-N 1 0 262.353 0.803 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000808751107 616014662 /nfs/dbraw/zinc/01/46/62/616014662.db2.gz RERWXMMXUDJYRH-ZFWWWQNUSA-N 1 0 264.369 0.928 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000841654758 616014958 /nfs/dbraw/zinc/01/49/58/616014958.db2.gz PGIMLQAKQATYTC-GFCCVEGCSA-N 1 0 262.357 0.995 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2COCCO2)cc1 ZINC000832300278 616019693 /nfs/dbraw/zinc/01/96/93/616019693.db2.gz QPZQSGGPJZTKOX-KGLIPLIRSA-N 1 0 293.367 0.284 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863321928 616164980 /nfs/dbraw/zinc/16/49/80/616164980.db2.gz ISOHZORLFQYGEW-WAAGHKOSSA-N 1 0 278.308 0.817 20 10 CCCDRO CN1CCCc2cc(C[NH2+]CCC(=O)NC(N)=O)ccc21 ZINC000818984774 616219883 /nfs/dbraw/zinc/21/98/83/616219883.db2.gz GVXCBMXAGOPWOZ-UHFFFAOYSA-N 1 0 290.367 0.744 20 10 CCCDRO CN(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2CO)cc1F ZINC000877643838 616245087 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ZINC000843057107 616956681 /nfs/dbraw/zinc/95/66/81/616956681.db2.gz BDHYJYIAEGGARP-UHFFFAOYSA-N 1 0 269.301 0.960 20 10 CCCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1 ZINC000185204414 625414745 /nfs/dbraw/zinc/41/47/45/625414745.db2.gz LJUQBIIYRLFGPL-JTQLQIEISA-N 1 0 277.324 0.903 20 10 CCCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1 ZINC000090024560 624823870 /nfs/dbraw/zinc/82/38/70/624823870.db2.gz QMJAFPQTXDCKOD-LLVKDONJSA-N 1 0 262.309 0.938 20 10 CCCDRO C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000096942575 625012147 /nfs/dbraw/zinc/01/21/47/625012147.db2.gz YUTAGFZQYXPHJJ-UHFFFAOYSA-N 1 0 250.298 0.868 20 10 CCCDRO COCC[NH2+]CC(=O)NCCCSc1nccs1 ZINC000237181179 631927044 /nfs/dbraw/zinc/92/70/44/631927044.db2.gz BVLPPHPAOGKJQG-UHFFFAOYSA-N 1 0 289.426 0.978 20 10 CCCDRO COCC[NH2+]CCNC(=O)Cc1ccc(N)cc1 ZINC000237285255 632469643 /nfs/dbraw/zinc/46/96/43/632469643.db2.gz ZREDVAHQDNPFTC-UHFFFAOYSA-N 1 0 251.330 0.164 20 10 CCCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c(O)c1 ZINC000927026901 633578357 /nfs/dbraw/zinc/57/83/57/633578357.db2.gz RUOXXLZZPRJOOG-WDEREUQCSA-N 1 0 287.381 0.757 20 10 CCCDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccccc1O ZINC000228422019 637058140 /nfs/dbraw/zinc/05/81/40/637058140.db2.gz DTGOOMBSDQWNJW-NSHDSACASA-N 1 0 250.298 0.387 20 10 CCCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000184185613 638666345 /nfs/dbraw/zinc/66/63/45/638666345.db2.gz NUUFUBZCAZVWLS-INIZCTEOSA-N 1 0 292.379 0.764 20 10 CCCDRO C[C@@](O)(CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922080552 639480650 /nfs/dbraw/zinc/48/06/50/639480650.db2.gz DWRQJYZQJZGDLB-AWEZNQCLSA-N 1 0 251.326 0.845 20 10 CCCDRO Cc1cccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000824893234 641851675 /nfs/dbraw/zinc/85/16/75/641851675.db2.gz NUYREHUXGJIVGB-PHIMTYICSA-N 1 0 260.293 0.405 20 10 CCCDRO [NH3+]CCNC(=O)NCc1cccc(Br)c1O ZINC000841921653 642854316 /nfs/dbraw/zinc/85/43/16/642854316.db2.gz SOAWNFIYSNTDNP-UHFFFAOYSA-N 1 0 288.145 0.913 20 10 CCCDRO C[C@H]([NH3+])CCNC(=O)NCCc1ccc(N)cc1 ZINC000841955745 642860612 /nfs/dbraw/zinc/86/06/12/642860612.db2.gz LPJNIYKBBGWSPG-JTQLQIEISA-N 1 0 250.346 0.848 20 10 CCCDRO NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848995544 643695255 /nfs/dbraw/zinc/69/52/55/643695255.db2.gz PVXSDJPICXKLGC-LLVKDONJSA-N 1 0 275.356 0.371 20 10 CCCDRO O=C(NCc1ccccc1O)NCC12CC(C1)C[NH2+]2 ZINC000851677850 643870637 /nfs/dbraw/zinc/87/06/37/643870637.db2.gz WZXXQULSVYAVOL-UHFFFAOYSA-N 1 0 261.325 0.943 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861639451 644901068 /nfs/dbraw/zinc/90/10/68/644901068.db2.gz CLUIRLKYGRNGDD-ZDUSSCGKSA-N 1 0 278.356 0.099 20 10 CCCDRO O=C(c1cccc(O)c1O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861715887 644916848 /nfs/dbraw/zinc/91/68/48/644916848.db2.gz RAUCNGAOIPEVKQ-QWRGUYRKSA-N 1 0 292.335 0.379 20 10 CCCDRO Oc1ccc(F)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862532396 645004800 /nfs/dbraw/zinc/00/48/00/645004800.db2.gz ZIFVCTPTQMJOLB-GFCCVEGCSA-N 1 0 254.305 0.688 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876749640 646656673 /nfs/dbraw/zinc/65/66/73/646656673.db2.gz BTZGAUUSFSBGTF-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])c1ccccc1O ZINC000877255653 646770890 /nfs/dbraw/zinc/77/08/90/646770890.db2.gz GOZGTGPAOCBPIP-NDMJEZRESA-N 1 0 264.325 0.933 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CCCn1ccnn1)OCO2 ZINC000126484530 646806393 /nfs/dbraw/zinc/80/63/93/646806393.db2.gz IZDXPPRJIIPARX-UHFFFAOYSA-N 1 0 276.296 0.892 20 10 CCCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000886258027 647943966 /nfs/dbraw/zinc/94/39/66/647943966.db2.gz SOXPTFSFMITAER-RBVVOMGSSA-N 1 0 292.379 0.497 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000930699855 648891282 /nfs/dbraw/zinc/89/12/82/648891282.db2.gz LNWBKIYOOJSYOD-HOCLYGCPSA-N 1 0 292.379 0.308 20 10 CCCDRO COc1cccc(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1O ZINC001277451822 805590283 /nfs/dbraw/zinc/59/02/83/805590283.db2.gz IMUGAZOOKVASJI-GXSJLCMTSA-N 1 0 291.307 0.073 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c1O ZINC001277451879 805591115 /nfs/dbraw/zinc/59/11/15/805591115.db2.gz LGOATFTZFNQFTA-YGRLFVJLSA-N 1 0 262.309 0.851 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1 ZINC001232840205 805987538 /nfs/dbraw/zinc/98/75/38/805987538.db2.gz PDSDEGAXOXXMMY-CYBMUJFWSA-N 1 0 279.340 0.144 20 10 CCCDRO Oc1cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc(O)c1O ZINC001233012107 806006058 /nfs/dbraw/zinc/00/60/58/806006058.db2.gz DWOXCZZTQSBQPC-NSHDSACASA-N 1 0 295.335 0.919 20 10 CCCDRO OC[C@H]1C[C@@H]2[C@H](C1)OCCN2Cc1cc(O)c(O)cc1O ZINC001233483202 806059536 /nfs/dbraw/zinc/05/95/36/806059536.db2.gz QTBSKFPEVRCNDU-ISOBSLSZSA-N 1 0 295.335 0.775 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1O ZINC001233483266 806060113 /nfs/dbraw/zinc/06/01/13/806060113.db2.gz SSSJCPVIASSUDE-NSHDSACASA-N 1 0 295.335 0.919 20 10 CCCDRO CC1(C(N)=O)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485548 806060683 /nfs/dbraw/zinc/06/06/83/806060683.db2.gz AOTKSFGKTMUDFQ-UHFFFAOYSA-N 1 0 280.324 0.891 20 10 CCCDRO COC(=O)CC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233487121 806064780 /nfs/dbraw/zinc/06/47/80/806064780.db2.gz QVZAOSZFEGTZHJ-UHFFFAOYSA-N 1 0 255.270 0.798 20 10 CCCDRO COc1ccc(O)c(CN2CCNC[C@]23CC[NH2+]C3)c1 ZINC001234979410 806324047 /nfs/dbraw/zinc/32/40/47/806324047.db2.gz DEEYGUIBLDXDSD-OAHLLOKOSA-N 1 0 277.368 0.538 20 10 CCCDRO Oc1ccc(F)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234985850 806328207 /nfs/dbraw/zinc/32/82/07/806328207.db2.gz GIVGXXPFEPVKIT-AWEZNQCLSA-N 1 0 265.332 0.669 20 10 CCCDRO COc1cccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235052297 806355561 /nfs/dbraw/zinc/35/55/61/806355561.db2.gz OLTSJKSRUQMMJU-OAHLLOKOSA-N 1 0 277.368 0.538 20 10 CCCDRO Oc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc(O)c1O ZINC001235079131 806369801 /nfs/dbraw/zinc/36/98/01/806369801.db2.gz PENDEVYFQJBQDQ-NXEZZACHSA-N 1 0 250.298 0.740 20 10 CCCDRO [NH3+]CCS(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000722213811 806399837 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COC(=O)[C@H]1CN(Cc2cc(O)c(O)c(OC)c2)C[C@H]1[NH3+] ZINC001236338765 806569813 /nfs/dbraw/zinc/56/98/13/806569813.db2.gz CEGYPDURENACCE-VHSXEESVSA-N 1 0 296.323 0.039 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(O)c(C)c2O)C[C@@H]1[NH3+] ZINC001236351329 806581835 /nfs/dbraw/zinc/58/18/35/806581835.db2.gz UJPFNTZNGAGCJP-QWRGUYRKSA-N 1 0 280.324 0.338 20 10 CCCDRO C[C@@H]1CN(Cc2cc(O)c(O)cc2O)C[C@H](C)[NH2+]1 ZINC001236579409 806594428 /nfs/dbraw/zinc/59/44/28/806594428.db2.gz LHTSLYGZSVAIMC-DTORHVGOSA-N 1 0 252.314 0.986 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](O)CO)c(Cl)c1 ZINC001236796605 806611250 /nfs/dbraw/zinc/61/12/50/806611250.db2.gz WZJSPEMGDNAZCV-MRVPVSSYSA-N 1 0 275.732 0.839 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001236809200 806613229 /nfs/dbraw/zinc/61/32/29/806613229.db2.gz UMBZPPREFVDZDP-LLVKDONJSA-N 1 0 267.325 0.902 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1c(O)cccc1F ZINC001122172591 799161380 /nfs/dbraw/zinc/16/13/80/799161380.db2.gz DDZWCQASJLXDQB-UFBFGSQYSA-N 1 0 270.304 0.364 20 10 CCCDRO Cc1cc(F)cc(CN2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001238070857 806746880 /nfs/dbraw/zinc/74/68/80/806746880.db2.gz QAFMYGHACGFYSY-ZDUSSCGKSA-N 1 0 294.326 0.883 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001140743971 799937521 /nfs/dbraw/zinc/93/75/21/799937521.db2.gz GWPJSUWSWKLRHN-HIFRSBDPSA-N 1 0 281.352 0.971 20 10 CCCDRO COc1cc(C(=O)N2CCC([NH3+])CC2)cc(O)c1O ZINC001160519616 801959202 /nfs/dbraw/zinc/95/92/02/801959202.db2.gz SRMSXBXQSCIXQH-UHFFFAOYSA-N 1 0 266.297 0.670 20 10 CCCDRO O=C1COCC2(CC[NH+](Cc3ccccc3O)CC2)N1 ZINC001203550502 803034865 /nfs/dbraw/zinc/03/48/65/803034865.db2.gz WKYMLQISZSOOCX-UHFFFAOYSA-N 1 0 276.336 0.873 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001203589047 803035899 /nfs/dbraw/zinc/03/58/99/803035899.db2.gz BXJMKOBQSVIALC-HIFRSBDPSA-N 1 0 281.352 0.966 20 10 CCCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277386 803076084 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ZINC000400111153 803763161 /nfs/dbraw/zinc/76/31/61/803763161.db2.gz FWIQDRGOIZZQJT-NSHDSACASA-N 1 0 288.344 0.655 20 10 CCCDRO O=C(CNC1CC[NH2+]CC1)NCc1ccccc1O ZINC001219923583 804448305 /nfs/dbraw/zinc/44/83/05/804448305.db2.gz SGWAWLHXANSLIA-UHFFFAOYSA-N 1 0 263.341 0.350 20 10 CCCDRO C[C@]1(C(=O)NCC(=O)c2ccc(O)c(O)c2)CC[NH2+]C1 ZINC001220489993 804613196 /nfs/dbraw/zinc/61/31/96/804613196.db2.gz OMOUYVHLURGHHG-AWEZNQCLSA-N 1 0 278.308 0.396 20 10 CCCDRO CC[C@H](CO)NC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001221380599 804795628 /nfs/dbraw/zinc/79/56/28/804795628.db2.gz UAUUQVSJSJGWCZ-MWLCHTKSSA-N 1 0 252.314 0.669 20 10 CCCDRO Oc1c(O)c(O)c(O[C@@H]2C[NH+]3CCC2CC3)c(O)c1O ZINC001226465651 805235291 /nfs/dbraw/zinc/23/52/91/805235291.db2.gz VDTAEFCVPDUSKY-SSDOTTSWSA-N 1 0 283.280 0.688 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246465184 807257518 /nfs/dbraw/zinc/25/75/18/807257518.db2.gz JRMXQISJZOXXDT-OLZOCXBDSA-N 1 0 263.341 0.304 20 10 CCCDRO CNC(=O)C[N@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249171884 807546338 /nfs/dbraw/zinc/54/63/38/807546338.db2.gz HHOCTAIFOXOJBJ-UHFFFAOYSA-N 1 0 280.324 0.286 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[NH2+]CCN2C)cc1 ZINC001263111261 809451304 /nfs/dbraw/zinc/45/13/04/809451304.db2.gz YANFVXPYXTUGCQ-OAHLLOKOSA-N 1 0 290.411 0.615 20 10 CCCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(O)c(O)c1 ZINC001270577597 813819957 /nfs/dbraw/zinc/81/99/57/813819957.db2.gz YDSQNSVLDDRCQD-RYUDHWBXSA-N 1 0 276.336 0.945 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1O ZINC000828637475 821796138 /nfs/dbraw/zinc/79/61/38/821796138.db2.gz YODXOTQMCUTSQG-SMDDNHRTSA-N 1 0 264.325 0.464 20 10 CCCDRO CC(=O)N1CCC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001169584325 836380811 /nfs/dbraw/zinc/38/08/11/836380811.db2.gz IWAKTUNNWATQKQ-GFCCVEGCSA-N 1 0 292.335 0.881 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627759 844467030 /nfs/dbraw/zinc/46/70/30/844467030.db2.gz NMVJDNRJFPIJOZ-UHFFFAOYSA-N 1 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GSOVTHPNPIKKCU-JTQLQIEISA-N 1 0 269.297 0.651 20 10 CCCDRO C[NH+](C)CCN1CCC12CN(Cc1cc(O)ccc1O)C2 ZINC001275419210 848717179 /nfs/dbraw/zinc/71/71/79/848717179.db2.gz SKKZAULNFIGNAO-UHFFFAOYSA-N 1 0 291.395 0.920 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1C[C@@H](O)C1)OCO2 ZINC000720935825 849565542 /nfs/dbraw/zinc/56/55/42/849565542.db2.gz IYVNRYDKDIWGBM-WAAGHKOSSA-N 1 0 251.282 0.981 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c(OC)c1 ZINC001236290272 903977139 /nfs/dbraw/zinc/97/71/39/903977139.db2.gz SDAGPALQPVAGPG-JOYOIKCWSA-N 1 0 264.325 0.813 20 10 CCCDRO Cc1cccc(C[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC001336853740 908006048 /nfs/dbraw/zinc/00/60/48/908006048.db2.gz IGIFHCISXVBLAD-HNNXBMFYSA-N 1 0 280.368 0.483 20 10 CCCDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332374972 918104398 /nfs/dbraw/zinc/10/43/98/918104398.db2.gz CHFZKURGRWMIFM-LLVKDONJSA-N 1 0 289.335 0.184 20 10 CCCDRO COc1ccc(N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)cc1 ZINC001335414241 920180755 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CCOC(=O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236349 349767590 /nfs/dbraw/zinc/76/75/90/349767590.db2.gz CTLGLVMCWIJPCD-UHFFFAOYSA-N 1 0 294.351 0.846 20 10 CCCDRO CN(C)C(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880207 348299817 /nfs/dbraw/zinc/29/98/17/348299817.db2.gz RZNNKHKLXPOEDN-UHFFFAOYSA-N 1 0 266.297 0.689 20 10 CCCDRO COc1cccc(CN2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000189837891 351704968 /nfs/dbraw/zinc/70/49/68/351704968.db2.gz PMALOKPBGDCXQD-LBPRGKRZSA-N 1 0 280.368 0.899 20 10 CCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C ZINC000167978514 389447082 /nfs/dbraw/zinc/44/70/82/389447082.db2.gz WBJDJJXNWQSOLR-QWHCGFSZSA-N 1 0 291.395 0.725 20 10 CCCDRO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cccc(OC)c1O ZINC000372638911 389454996 /nfs/dbraw/zinc/45/49/96/389454996.db2.gz KWLHAYMEYHAIPL-YPMHNXCESA-N 1 0 295.335 0.899 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H](C(N)=O)O1 ZINC000179586358 389660058 /nfs/dbraw/zinc/66/00/58/389660058.db2.gz PIZGVRSYQXZKAC-SKDRFNHKSA-N 1 0 250.298 0.467 20 10 CCCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[NH2+]CCO3)ccc21 ZINC000166477586 261390416 /nfs/dbraw/zinc/39/04/16/261390416.db2.gz SREYHFUVIAMNNB-HNNXBMFYSA-N 1 0 289.379 0.674 20 10 CCCDRO CCOc1cccc(C[NH2+][C@H](CO)COC)c1O ZINC000233786809 521376537 /nfs/dbraw/zinc/37/65/37/521376537.db2.gz BPDBJQIEEPFWJQ-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO C[N@H+](CCC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000289678314 522698379 /nfs/dbraw/zinc/69/83/79/522698379.db2.gz NUVOBUFSKKGFRY-UHFFFAOYSA-N 1 0 252.270 0.428 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785985691 581426330 /nfs/dbraw/zinc/42/63/30/581426330.db2.gz QDHIYMIGPXQJEM-ZDUSSCGKSA-N 1 0 283.397 0.615 20 10 CCCDRO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000785986824 581426374 /nfs/dbraw/zinc/42/63/74/581426374.db2.gz YTJNITIBUFZXBS-SNVBAGLBSA-N 1 0 256.327 0.255 20 10 CCCDRO COc1cccc(O)c1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000769327865 581684238 /nfs/dbraw/zinc/68/42/38/581684238.db2.gz NFWYKYJHUKCVFB-LBPRGKRZSA-N 1 0 280.368 0.899 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000775697333 582034155 /nfs/dbraw/zinc/03/41/55/582034155.db2.gz ZMOWSJQABVEWSZ-GFCCVEGCSA-N 1 0 284.381 0.954 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@@H]2COCCO2)cc1OC ZINC000776034353 582049769 /nfs/dbraw/zinc/04/97/69/582049769.db2.gz QPEIEIUGSWZWCM-LLVKDONJSA-N 1 0 283.324 0.914 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCc2nnnn2C)c1 ZINC000776257564 582065379 /nfs/dbraw/zinc/06/53/79/582065379.db2.gz YIWAICPGCKLTKE-UHFFFAOYSA-N 1 0 263.301 0.257 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCNC2=O)cc1OC ZINC000768464916 582107106 /nfs/dbraw/zinc/10/71/06/582107106.db2.gz GJIZHYSFEAMLOQ-JTQLQIEISA-N 1 0 280.324 0.730 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@@]2(CO)CCOC2)c1O ZINC000894460903 617176137 /nfs/dbraw/zinc/17/61/37/617176137.db2.gz HYYYUFOCYOIZCX-CQSZACIVSA-N 1 0 267.325 0.950 20 10 CCCDRO COc1ccc(C[NH+](CCO)CCO)c(O)c1OC ZINC000895540854 617248903 /nfs/dbraw/zinc/24/89/03/617248903.db2.gz LHEHQYVGNDPGKF-UHFFFAOYSA-N 1 0 271.313 0.196 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c1OC ZINC000896021050 617252241 /nfs/dbraw/zinc/25/22/41/617252241.db2.gz FLRPAPIZVWNLNY-HZMBPMFUSA-N 1 0 265.309 0.976 20 10 CCCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)c(O)c1OC ZINC000895666415 617258638 /nfs/dbraw/zinc/25/86/38/617258638.db2.gz RFRIYNVYONDSCU-VIFPVBQESA-N 1 0 298.339 0.907 20 10 CCCDRO COc1ccc(C[NH2+]CCCOCCO)c(O)c1OC ZINC000893477864 617257493 /nfs/dbraw/zinc/25/74/93/617257493.db2.gz CBAOOMNERUSRMS-UHFFFAOYSA-N 1 0 285.340 0.898 20 10 CCCDRO COc1ccc(CNC(=O)C[C@@H](C[NH3+])OC)c(O)c1 ZINC000832178056 617253827 /nfs/dbraw/zinc/25/38/27/617253827.db2.gz LQPBOMAWUBUMLY-NSHDSACASA-N 1 0 268.313 0.381 20 10 CCCDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1OC ZINC000895640348 617259715 /nfs/dbraw/zinc/25/97/15/617259715.db2.gz KQANYNPZKQPHOL-GHMZBOCLSA-N 1 0 283.324 0.649 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)[C@@H](C)O)cc1 ZINC000930847687 617267222 /nfs/dbraw/zinc/26/72/22/617267222.db2.gz BPLAZKOZJLURBI-DOMZBBRYSA-N 1 0 282.384 0.805 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C(CO)CO)CC2)cc1 ZINC000122236276 617267699 /nfs/dbraw/zinc/26/76/99/617267699.db2.gz KLFYZVXLHUEHFQ-UHFFFAOYSA-N 1 0 280.368 0.607 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@@H](C)O)CC2)cc1F ZINC000929820209 617267860 /nfs/dbraw/zinc/26/78/60/617267860.db2.gz ASSCWEFCAKXCIW-BXUZGUMPSA-N 1 0 298.358 0.698 20 10 CCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3[NH3+])C2)cc1 ZINC000818269752 617267892 /nfs/dbraw/zinc/26/78/92/617267892.db2.gz JCPGNYLOKVYHMS-DFBGVHRSSA-N 1 0 289.379 0.985 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[NH3+])C2)cc1 ZINC000851661653 617267995 /nfs/dbraw/zinc/26/79/95/617267995.db2.gz MTUFBXOQUWLPCQ-GFCCVEGCSA-N 1 0 292.383 0.922 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000846678205 617274026 /nfs/dbraw/zinc/27/40/26/617274026.db2.gz WNOCLFKBKKBIJI-MFKMUULPSA-N 1 0 295.383 0.857 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C[C@@H](O)CO)C(C)C)c1 ZINC000817417971 617272281 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CCCDRO CN(C)c1ccc(CNC(=O)COCC[NH3+])cc1F ZINC000827901795 616014925 /nfs/dbraw/zinc/01/49/25/616014925.db2.gz SONMZJSZKRVTQH-UHFFFAOYSA-N 1 0 269.320 0.483 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncc[nH]2)cc1 ZINC000911668544 616019657 /nfs/dbraw/zinc/01/96/57/616019657.db2.gz ZLNXVSXCCHYRRN-GFCCVEGCSA-N 1 0 273.340 0.906 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(C)(=O)=O)cc1 ZINC000842786442 616019737 /nfs/dbraw/zinc/01/97/37/616019737.db2.gz QRPSOLXJDIYSLB-LLVKDONJSA-N 1 0 257.359 0.302 20 10 CCCDRO CN(C)c1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1F ZINC000843120817 616244983 /nfs/dbraw/zinc/24/49/83/616244983.db2.gz VQYFXVZUDJHIFE-ZDUSSCGKSA-N 1 0 280.391 0.966 20 10 CCCDRO COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649557 616539507 /nfs/dbraw/zinc/53/95/07/616539507.db2.gz VZDQZLYIZUSVAB-RNCFNFMXSA-N 1 0 253.298 0.967 20 10 CCCDRO COC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004752 616685269 /nfs/dbraw/zinc/68/52/69/616685269.db2.gz NLWYWVWYLFAWOJ-AWEZNQCLSA-N 1 0 277.368 0.877 20 10 CCCDRO C[NH2+]C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000851664514 616991363 /nfs/dbraw/zinc/99/13/63/616991363.db2.gz CWDBCOIUPOEATE-JTQLQIEISA-N 1 0 250.346 0.718 20 10 CCCDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846047045 616992114 /nfs/dbraw/zinc/99/21/14/616992114.db2.gz IDBISCZVTPMGOE-WDEREUQCSA-N 1 0 281.308 0.703 20 10 CCCDRO COc1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000192785741 633550850 /nfs/dbraw/zinc/55/08/50/633550850.db2.gz IVSXFHBSGKEERO-UHFFFAOYSA-N 1 0 277.368 0.905 20 10 CCCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000164233933 636863292 /nfs/dbraw/zinc/86/32/92/636863292.db2.gz QTOVHDNYEFBTOX-GFCCVEGCSA-N 1 0 264.325 0.695 20 10 CCCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CO)COCCN2C)cc1C ZINC000922534607 639718152 /nfs/dbraw/zinc/71/81/52/639718152.db2.gz AYBQYVNQSJCTPK-MRXNPFEDSA-N 1 0 294.395 0.792 20 10 CCCDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000800890894 640624878 /nfs/dbraw/zinc/62/48/78/640624878.db2.gz 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O=C1NCC[C@]12CCC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014402 806007435 /nfs/dbraw/zinc/00/74/35/806007435.db2.gz SWYVPLMKIAZKHS-HNNXBMFYSA-N 1 0 292.335 0.906 20 10 CCCDRO O=C1NCC2(CCN(Cc3cc(O)c(O)c(O)c3)CC2)O1 ZINC001233016965 806008201 /nfs/dbraw/zinc/00/82/01/806008201.db2.gz QBEJOASYTAERPO-UHFFFAOYSA-N 1 0 294.307 0.878 20 10 CCCDRO Oc1cc(O)c(CN2CCN3CCOC[C@@H]3C2)cc1O ZINC001233483321 806058677 /nfs/dbraw/zinc/05/86/77/806058677.db2.gz VJYUOCAOCZVBJK-NSHDSACASA-N 1 0 280.324 0.320 20 10 CCCDRO CCNC(=O)[C@@H]1CCCN1Cc1cc(O)c(O)cc1O ZINC001233487612 806064351 /nfs/dbraw/zinc/06/43/51/806064351.db2.gz LFNPKRPCVWHGJE-JTQLQIEISA-N 1 0 280.324 0.904 20 10 CCCDRO Cc1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061352 806363080 /nfs/dbraw/zinc/36/30/80/806363080.db2.gz KQGVMTSZXMKFDF-HNNXBMFYSA-N 1 0 261.369 0.838 20 10 CCCDRO CCOC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(N)cc3)C[C@@H]2N1 ZINC001235281584 806401777 /nfs/dbraw/zinc/40/17/77/806401777.db2.gz AONKBEITDGRYIS-YUELXQCFSA-N 1 0 289.379 0.994 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(C)cc1O ZINC001236055496 806537580 /nfs/dbraw/zinc/53/75/80/806537580.db2.gz PSHUZQFMHGUIDA-LBPRGKRZSA-N 1 0 264.325 0.647 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001237484984 806673898 /nfs/dbraw/zinc/67/38/98/806673898.db2.gz KTLAXBOLBDYEED-FZMZJTMJSA-N 1 0 251.326 0.876 20 10 CCCDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677436 798913004 /nfs/dbraw/zinc/91/30/04/798913004.db2.gz QLPFFECHZBVOTM-AWEZNQCLSA-N 1 0 278.356 0.135 20 10 CCCDRO Cc1cc(F)cc(CN2CCN(CC(N)=O)CC2)c1O ZINC001238069324 806746491 /nfs/dbraw/zinc/74/64/91/806746491.db2.gz IHKRCKHFBRRQNI-UHFFFAOYSA-N 1 0 281.331 0.443 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001140748208 799939672 /nfs/dbraw/zinc/93/96/72/799939672.db2.gz UQPMXFDUHNLWJM-LBPRGKRZSA-N 1 0 292.335 0.449 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC001141031454 799973291 /nfs/dbraw/zinc/97/32/91/799973291.db2.gz 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ZINC001246168351 807174055 /nfs/dbraw/zinc/17/40/55/807174055.db2.gz CLIGAQIGRNFHOD-QWRGUYRKSA-N 1 0 250.298 0.385 20 10 CCCDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253711489 808125800 /nfs/dbraw/zinc/12/58/00/808125800.db2.gz MWSBCXBIHLJXCO-LLVKDONJSA-N 1 0 283.324 0.890 20 10 CCCDRO C[NH+]1CC(C(=O)NCCc2cc(O)c(O)cc2O)C1 ZINC001142599960 815191668 /nfs/dbraw/zinc/19/16/68/815191668.db2.gz BKKGHJQEZOOPJL-UHFFFAOYSA-N 1 0 266.297 0.024 20 10 CCCDRO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCCc2n[nH]cc21 ZINC001263284407 809503260 /nfs/dbraw/zinc/50/32/60/809503260.db2.gz BVONSIWFWZCIMK-VIFPVBQESA-N 1 0 286.339 0.803 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1N ZINC001236348882 817277612 /nfs/dbraw/zinc/27/76/12/817277612.db2.gz NHYJRJODWYNVTA-OLZOCXBDSA-N 1 0 278.352 0.941 20 10 CCCDRO COc1cc(O)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001236800459 817412414 /nfs/dbraw/zinc/41/24/14/817412414.db2.gz YZSHJNMBFKGUHK-AMIZOPFISA-N 1 0 287.743 0.839 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237046333 817442126 /nfs/dbraw/zinc/44/21/26/817442126.db2.gz AHQPLJHDHZOTRI-RISCZKNCSA-N 1 0 267.325 0.576 20 10 CCCDRO CNC(=O)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000700946003 818868516 /nfs/dbraw/zinc/86/85/16/818868516.db2.gz FOYZGQVNDMRKAA-UHFFFAOYSA-N 1 0 276.340 0.354 20 10 CCCDRO CC(=O)N1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001169576015 836363672 /nfs/dbraw/zinc/36/36/72/836363672.db2.gz GLEXSGFXKPQSHW-LBPRGKRZSA-N 1 0 294.351 0.946 20 10 CCCDRO CCC(=O)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500654 840066480 /nfs/dbraw/zinc/06/64/80/840066480.db2.gz YBZVJCGPLSMKPG-UHFFFAOYSA-N 1 0 280.324 0.858 20 10 CCCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515687 840074445 /nfs/dbraw/zinc/07/44/45/840074445.db2.gz DLNYPDZMNAFMBJ-SNVBAGLBSA-N 1 0 280.324 0.856 20 10 CCCDRO CN(C1C[NH+](Cc2c(O)cc(O)cc2O)C1)[C@@H]1CCOC1 ZINC001144514609 840075839 /nfs/dbraw/zinc/07/58/39/840075839.db2.gz LYLDKRXIKWSTIB-SNVBAGLBSA-N 1 0 294.351 0.708 20 10 CCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc(OC)n1 ZINC001192422081 845842199 /nfs/dbraw/zinc/84/21/99/845842199.db2.gz CAODXSXGLYKUBX-NSHDSACASA-N 1 0 279.340 0.923 20 10 CCCDRO COc1cc(C(=O)n2ccc(C[NH3+])cc2=N)cc(O)c1O ZINC001193113771 845982842 /nfs/dbraw/zinc/98/28/42/845982842.db2.gz BRNUMKHHYRZQLJ-UHFFFAOYSA-N 1 0 289.291 0.535 20 10 CCCDRO CCN1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1=O ZINC000391528634 854064212 /nfs/dbraw/zinc/06/42/12/854064212.db2.gz GJKKLRBHPBJGQT-SNVBAGLBSA-N 1 0 278.308 0.831 20 10 CCCDRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1O ZINC001119260875 856603604 /nfs/dbraw/zinc/60/36/04/856603604.db2.gz LDJUWQVLMGQXPD-NSHDSACASA-N 1 0 299.392 0.983 20 10 CCCDRO CN(C)c1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001329874018 916242356 /nfs/dbraw/zinc/24/23/56/916242356.db2.gz PGHVCSRLPGYWLJ-KBPBESRZSA-N 1 0 264.369 0.785 20 10 CCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(C)=O)cc1C ZINC001331662680 917489883 /nfs/dbraw/zinc/48/98/83/917489883.db2.gz HHGSNGPRDKKECQ-CYBMUJFWSA-N 1 0 266.341 0.590 20 10 CCCDRO Nc1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC001335665667 920356712 /nfs/dbraw/zinc/35/67/12/920356712.db2.gz KEKLKYPVRSTEOK-UHFFFAOYSA-N 1 0 292.383 0.790 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C[NH3+])C2)cc1 ZINC001342197968 922856006 /nfs/dbraw/zinc/85/60/06/922856006.db2.gz KOUPBCFWNPMJIT-TYNCELHUSA-N 1 0 289.379 0.985 20 10 CCCDRO Nc1ccc(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001346210473 924111667 /nfs/dbraw/zinc/11/16/67/924111667.db2.gz SBHKAWNJNNWJIP-OAHLLOKOSA-N 1 0 288.351 0.784 20 10 CCCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(O)c1O ZINC001352658378 925614601 /nfs/dbraw/zinc/61/46/01/925614601.db2.gz UCNTUWRJCZFVQJ-LLVKDONJSA-N 1 0 294.351 0.682 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001353183545 925753259 /nfs/dbraw/zinc/75/32/59/925753259.db2.gz UOIYUBQQRJXDAV-LLVKDONJSA-N 1 0 252.314 0.449 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1C ZINC000050926876 348481827 /nfs/dbraw/zinc/48/18/27/348481827.db2.gz DGGXGJOJQQJALQ-CYBMUJFWSA-N 1 0 264.325 0.695 20 10 CCCDRO COc1ccc(O)c(C[N@H+](CCO)CCCO)c1 ZINC000271727354 353034538 /nfs/dbraw/zinc/03/45/38/353034538.db2.gz LWYAXXDWDLOFJP-UHFFFAOYSA-N 1 0 255.314 0.578 20 10 CCCDRO COCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000271707968 353034693 /nfs/dbraw/zinc/03/46/93/353034693.db2.gz GFAMTXOWGWTVRX-UHFFFAOYSA-N 1 0 285.340 0.850 20 10 CCCDRO COCC[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282095752 353392812 /nfs/dbraw/zinc/39/28/12/353392812.db2.gz CVDYYZPGLZDTMF-SNVBAGLBSA-N 1 0 269.297 0.608 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)CCOCCO)cc1OC ZINC000282731700 353448460 /nfs/dbraw/zinc/44/84/60/353448460.db2.gz MJMQAFPUXDWEEG-UHFFFAOYSA-N 1 0 285.340 0.850 20 10 CCCDRO C[NH2+]CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000237196923 389184484 /nfs/dbraw/zinc/18/44/84/389184484.db2.gz OZFLDRIFXPRGPF-UHFFFAOYSA-N 1 0 277.368 0.953 20 10 CCCDRO COc1ccc(O)c(CN2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000156064353 389323218 /nfs/dbraw/zinc/32/32/18/389323218.db2.gz PKTYBIUFGYSZIA-LLVKDONJSA-N 1 0 277.324 0.610 20 10 CCCDRO Nc1ccc(CCNC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000375914174 389724797 /nfs/dbraw/zinc/72/47/97/389724797.db2.gz NOTHEIBDFJXRFL-CYBMUJFWSA-N 1 0 263.341 0.306 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1O ZINC000179898541 261419488 /nfs/dbraw/zinc/41/94/88/261419488.db2.gz PGHUOTROVKUIQM-NSHDSACASA-N 1 0 264.325 0.902 20 10 CCCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000363934713 262039141 /nfs/dbraw/zinc/03/91/41/262039141.db2.gz WBGYHJFGDCNBRZ-WDEREUQCSA-N 1 0 287.743 0.982 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000091310496 327102205 /nfs/dbraw/zinc/10/22/05/327102205.db2.gz JOQLERYMNIBQCI-AWEZNQCLSA-N 1 0 277.368 0.747 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)cc1 ZINC000232118242 333334248 /nfs/dbraw/zinc/33/42/48/333334248.db2.gz LZKBTNSTZVCNHY-CYBMUJFWSA-N 1 0 265.357 0.733 20 10 CCCDRO C[NH2+]CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040421889 521960186 /nfs/dbraw/zinc/96/01/86/521960186.db2.gz JHBKZKPWIQASJP-UHFFFAOYSA-N 1 0 277.368 0.701 20 10 CCCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879836 524629246 /nfs/dbraw/zinc/62/92/46/524629246.db2.gz DQBMTEQFFMNNOT-NSHDSACASA-N 1 0 294.351 0.931 20 10 CCCDRO CC[C@@H](CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727059336 581299779 /nfs/dbraw/zinc/29/97/79/581299779.db2.gz XRISSEFJBJTHPY-ZDUSSCGKSA-N 1 0 279.384 0.729 20 10 CCCDRO COc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)c1O ZINC000770383416 581740379 /nfs/dbraw/zinc/74/03/79/581740379.db2.gz UYAFCZJKLDQYPO-SNVBAGLBSA-N 1 0 250.298 0.721 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCNC1=O ZINC000758411222 581744978 /nfs/dbraw/zinc/74/49/78/581744978.db2.gz ZWEYHSRQFXWTFJ-SECBINFHSA-N 1 0 264.281 0.441 20 10 CCCDRO CNC(=O)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775370407 582021332 /nfs/dbraw/zinc/02/13/32/582021332.db2.gz MMYINAUTZPSSKS-MRVPVSSYSA-N 1 0 281.312 0.507 20 10 CCCDRO CNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764604100 582058461 /nfs/dbraw/zinc/05/84/61/582058461.db2.gz UUWUWTVMHGRCNI-GFCCVEGCSA-N 1 0 277.368 0.920 20 10 CCCDRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988408 617194358 /nfs/dbraw/zinc/19/43/58/617194358.db2.gz OSFMEPFKFRVBJO-MNOVXSKESA-N 1 0 264.325 0.948 20 10 CCCDRO COc1ccc(CNC(=O)CC2([NH3+])CC2)c(O)c1 ZINC000852889421 617253124 /nfs/dbraw/zinc/25/31/24/617253124.db2.gz CDUSNDLOHJVNFO-UHFFFAOYSA-N 1 0 250.298 0.898 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C)c(O)c1 ZINC000925426532 617254683 /nfs/dbraw/zinc/25/46/83/617254683.db2.gz VPIRLPHVKVJDGJ-LLVKDONJSA-N 1 0 279.340 0.904 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000862483428 617273458 /nfs/dbraw/zinc/27/34/58/617273458.db2.gz MTMWVISSYGZUEX-CZMCAQCFSA-N 1 0 250.298 0.754 20 10 CCCDRO COc1cccc(C[NH2+][C@]2(C)CCNC2=O)c1O ZINC000897871981 617300347 /nfs/dbraw/zinc/30/03/47/617300347.db2.gz QBAHSDWAWQWNHR-CYBMUJFWSA-N 1 0 250.298 0.769 20 10 CCCDRO COc1cccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000848926749 617297581 /nfs/dbraw/zinc/29/75/81/617297581.db2.gz XXBYMIOYZOAZMN-QWHCGFSZSA-N 1 0 278.352 0.652 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895331688 617297890 /nfs/dbraw/zinc/29/78/90/617297890.db2.gz QCGRQRJUIZZPGR-SMDDNHRTSA-N 1 0 267.325 0.718 20 10 CCCDRO COc1cccc(CNC(=O)NCC[C@H](C)[NH3+])c1O ZINC000857112876 617298686 /nfs/dbraw/zinc/29/86/86/617298686.db2.gz SIYBUSJZJURPKJ-VIFPVBQESA-N 1 0 267.329 0.937 20 10 CCCDRO COc1cccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c1O ZINC000851678127 617298722 /nfs/dbraw/zinc/29/87/22/617298722.db2.gz ZSARAYSDYSOZKJ-UHFFFAOYSA-N 1 0 291.351 0.952 20 10 CCCDRO COc1cccc(O)c1CN1CCC[C@]([NH3+])(CO)C1 ZINC000904402942 617305151 /nfs/dbraw/zinc/30/51/51/617305151.db2.gz XGMKZJFBKJLEBQ-CQSZACIVSA-N 1 0 266.341 0.686 20 10 CCCDRO CCN(CC)c1ccc(CNS(=O)(=O)C2C[NH2+]C2)cc1 ZINC000923592158 615013319 /nfs/dbraw/zinc/01/33/19/615013319.db2.gz OUIMYJPNFWJSBI-UHFFFAOYSA-N 1 0 297.424 0.924 20 10 CCCDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841094240 615116701 /nfs/dbraw/zinc/11/67/01/615116701.db2.gz LDKDFZOKZUJROT-UHFFFAOYSA-N 1 0 290.367 0.762 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)c(O)c1 ZINC000895707078 615510417 /nfs/dbraw/zinc/51/04/17/615510417.db2.gz IMDHRJFEEVZTLC-HNNXBMFYSA-N 1 0 295.335 0.901 20 10 CCCDRO CCOc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(O)c1 ZINC000862446071 615510761 /nfs/dbraw/zinc/51/07/61/615510761.db2.gz OQQMNDOGVFBIPH-STQMWFEESA-N 1 0 253.298 0.328 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CNCCO2)c1 ZINC000841098514 615512251 /nfs/dbraw/zinc/51/22/51/615512251.db2.gz HGYBXOKGRCXZMF-ZDUSSCGKSA-N 1 0 266.341 0.869 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CCC(CO)(CO)C2)c1O ZINC000827474590 615515808 /nfs/dbraw/zinc/51/58/08/615515808.db2.gz FXPAGECSUMTOEE-UHFFFAOYSA-N 1 0 281.352 0.968 20 10 CCCDRO C[NH+](C)C1(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000830559648 615843797 /nfs/dbraw/zinc/84/37/97/615843797.db2.gz RCFDGAJAYYWVJF-UHFFFAOYSA-N 1 0 250.298 0.808 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1F ZINC000827906536 616014408 /nfs/dbraw/zinc/01/44/08/616014408.db2.gz OCRAPPVCINHRJU-UHFFFAOYSA-N 1 0 295.358 0.886 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccn[nH]2)cc1 ZINC000832299580 616019854 /nfs/dbraw/zinc/01/98/54/616019854.db2.gz DZRJFUDVQWFGFI-GFCCVEGCSA-N 1 0 273.340 0.906 20 10 CCCDRO CN1CCCc2cc(CNC(=O)C3(O)C[NH2+]C3)ccc21 ZINC000852863885 616219889 /nfs/dbraw/zinc/21/98/89/616219889.db2.gz SUUPNKLQGXSKIN-UHFFFAOYSA-N 1 0 275.352 0.020 20 10 CCCDRO CN1CCN(C(=O)C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834543827 616223716 /nfs/dbraw/zinc/22/37/16/616223716.db2.gz HEOIZABVOKHJPC-CYBMUJFWSA-N 1 0 289.379 0.743 20 10 CCCDRO COCCOCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000808237398 616540247 /nfs/dbraw/zinc/54/02/47/616540247.db2.gz OPHLDAUPMAOFCZ-AWEZNQCLSA-N 1 0 297.351 0.913 20 10 CCCDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648314 616596387 /nfs/dbraw/zinc/59/63/87/616596387.db2.gz JPBFHTQPCONIOA-SNVBAGLBSA-N 1 0 280.324 0.722 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000884334814 616677470 /nfs/dbraw/zinc/67/74/70/616677470.db2.gz CGSBYKFIVPFIQH-NSHDSACASA-N 1 0 268.313 0.381 20 10 CCCDRO COCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278127 616829472 /nfs/dbraw/zinc/82/94/72/616829472.db2.gz AUMNLTVXTHVVBC-CYBMUJFWSA-N 1 0 265.357 0.905 20 10 CCCDRO C[NH2+]CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841937279 616961461 /nfs/dbraw/zinc/96/14/61/616961461.db2.gz WONQSQJYFBFGKX-VIFPVBQESA-N 1 0 267.329 0.980 20 10 CCCDRO C[NH2+]CCOCCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000861640428 616963546 /nfs/dbraw/zinc/96/35/46/616963546.db2.gz KXPJOGFNTVMWOZ-UHFFFAOYSA-N 1 0 294.399 0.689 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(C)cc1O ZINC000877690224 617012382 /nfs/dbraw/zinc/01/23/82/617012382.db2.gz VTGGIUDCFRBMGG-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858320003 617068890 /nfs/dbraw/zinc/06/88/90/617068890.db2.gz MFIYTNQQZRSPQR-QMMMGPOBSA-N 1 0 282.296 0.619 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877625567 617116900 /nfs/dbraw/zinc/11/69/00/617116900.db2.gz POZMVJAJHXSVBY-AAEUAGOBSA-N 1 0 285.365 0.602 20 10 CCCDRO COc1c(O)c(CN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843046014 617149124 /nfs/dbraw/zinc/14/91/24/617149124.db2.gz SIJLXCHIUXOCGB-UHFFFAOYSA-N 1 0 267.285 0.714 20 10 CCCDRO COc1c(O)c(CN[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841045441 617149292 /nfs/dbraw/zinc/14/92/92/617149292.db2.gz VPKJMCJWEZNAKF-VIFPVBQESA-N 1 0 267.285 0.761 20 10 CCCDRO COc1c(O)c(CN2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843046750 617149385 /nfs/dbraw/zinc/14/93/85/617149385.db2.gz AOOKLYDWPJZKOJ-VIFPVBQESA-N 1 0 267.285 0.842 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000928704804 632544268 /nfs/dbraw/zinc/54/42/68/632544268.db2.gz DEVOHSNBHBRMRI-ZDUSSCGKSA-N 1 0 293.342 0.537 20 10 CCCDRO COc1cc(O)c(C[N@H+](C[C@@H](O)CO)C(C)C)cc1OC ZINC000817417264 641257622 /nfs/dbraw/zinc/25/76/22/641257622.db2.gz AFTGSMYMQFTPMZ-GFCCVEGCSA-N 1 0 299.367 0.973 20 10 CCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996368 641371743 /nfs/dbraw/zinc/37/17/43/641371743.db2.gz FFLSHDIEJYSJRE-UHFFFAOYSA-N 1 0 263.297 0.296 20 10 CCCDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1O ZINC000827973406 642055592 /nfs/dbraw/zinc/05/55/92/642055592.db2.gz OOOAFFXWEGVMLF-GXTWGEPZSA-N 1 0 289.379 0.959 20 10 CCCDRO C[C@H](C[NH3+])N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844218550 643183972 /nfs/dbraw/zinc/18/39/72/643183972.db2.gz CGNRCIOVSQVJLM-GFCCVEGCSA-N 1 0 278.400 0.648 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846672278 643440619 /nfs/dbraw/zinc/44/06/19/643440619.db2.gz FVQWANXYRZDZJX-HNNXBMFYSA-N 1 0 292.427 0.956 20 10 CCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861735294 644920208 /nfs/dbraw/zinc/92/02/08/644920208.db2.gz NLMHINXUUUEXDW-LLVKDONJSA-N 1 0 292.383 0.174 20 10 CCCDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000864052858 645155327 /nfs/dbraw/zinc/15/53/27/645155327.db2.gz QJWIQQCABMUALL-SDBXPKJASA-N 1 0 274.311 0.862 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567879 646824968 /nfs/dbraw/zinc/82/49/68/646824968.db2.gz SHFWIDFXRKOQKD-PHIMTYICSA-N 1 0 260.293 0.405 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC000877592042 646826674 /nfs/dbraw/zinc/82/66/74/646826674.db2.gz KOYGEBORSJQYDO-CHWSQXEVSA-N 1 0 251.326 0.876 20 10 CCCDRO C[C@@]12C[NH+](Cc3ccccc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877667889 646833379 /nfs/dbraw/zinc/83/33/79/646833379.db2.gz COFHAOFZRGKWNP-GJZGRUSLSA-N 1 0 274.320 0.877 20 10 CCCDRO C[C@@H](NS(=O)(=O)C1C[NH2+]C1)c1ccccc1O ZINC000923668193 646876548 /nfs/dbraw/zinc/87/65/48/646876548.db2.gz DNTLKRURVMAPME-MRVPVSSYSA-N 1 0 256.327 0.344 20 10 CCCDRO C[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccccc1O ZINC000879649444 647089580 /nfs/dbraw/zinc/08/95/80/647089580.db2.gz UDTVJSAREARKPU-NXEZZACHSA-N 1 0 277.324 0.983 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210960 648836667 /nfs/dbraw/zinc/83/66/67/648836667.db2.gz QTFZLHOZEASUJN-WOSRLPQWSA-N 1 0 294.395 0.916 20 10 CCCDRO NC(=O)C1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140284967 791051809 /nfs/dbraw/zinc/05/18/09/791051809.db2.gz AJKQPYNFSVPSGO-UHFFFAOYSA-N 1 0 289.379 0.565 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c1 ZINC001277464018 805653855 /nfs/dbraw/zinc/65/38/55/805653855.db2.gz SCKALJLMZRLMCA-QMTHXVAHSA-N 1 0 262.309 0.708 20 10 CCCDRO Cc1ccc(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c(O)c1 ZINC001277567333 805857026 /nfs/dbraw/zinc/85/70/26/805857026.db2.gz FMLKIROPDVNAHL-CMPLNLGQSA-N 1 0 275.308 0.373 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001232835442 805985359 /nfs/dbraw/zinc/98/53/59/805985359.db2.gz CJNLDSWXVHROCT-ZDUSSCGKSA-N 1 0 266.341 0.651 20 10 CCCDRO CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232835069 805985892 /nfs/dbraw/zinc/98/58/92/805985892.db2.gz ULHWNWGEZGOYAF-UHFFFAOYSA-N 1 0 251.330 0.636 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001232835683 805986335 /nfs/dbraw/zinc/98/63/35/805986335.db2.gz FQOJWXJFTDRBKD-JSGCOSHPSA-N 1 0 280.368 0.633 20 10 CCCDRO O=C1NC2(CO1)CCN(Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233015705 806006651 /nfs/dbraw/zinc/00/66/51/806006651.db2.gz YEPAPZAJHBWJKM-UHFFFAOYSA-N 1 0 294.307 0.878 20 10 CCCDRO CC(C)(C)[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H](O)CO ZINC001233483000 806060171 /nfs/dbraw/zinc/06/01/71/806060171.db2.gz KJDDPJCKWMUJLY-SNVBAGLBSA-N 1 0 285.340 0.757 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1O ZINC001233485268 806062387 /nfs/dbraw/zinc/06/23/87/806062387.db2.gz OXAUVADQXHHAHO-GFCCVEGCSA-N 1 0 294.351 0.710 20 10 CCCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487200 806063842 /nfs/dbraw/zinc/06/38/42/806063842.db2.gz UOHUEJDNCYDQMA-LLVKDONJSA-N 1 0 280.324 0.856 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236023054 806529576 /nfs/dbraw/zinc/52/95/76/806529576.db2.gz NECQJTSHYJHTRZ-IUODEOHRSA-N 1 0 276.336 0.641 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(O)c(C)c2O)C[C@@H]1[NH3+] ZINC001236351324 806581985 /nfs/dbraw/zinc/58/19/85/806581985.db2.gz UJPFNTZNGAGCJP-MNOVXSKESA-N 1 0 280.324 0.338 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)c(O)cc2O)C[C@H]1[NH3+] ZINC001236362728 806588119 /nfs/dbraw/zinc/58/81/19/806588119.db2.gz YWHVAILETXGNJP-VHSXEESVSA-N 1 0 296.323 0.039 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN3CC(=O)C3)c(F)c2)CC1 ZINC001236940338 806621313 /nfs/dbraw/zinc/62/13/13/806621313.db2.gz ZWQHNCVZWHWEFF-UHFFFAOYSA-N 1 0 277.343 0.962 20 10 CCCDRO Nc1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001120574358 798871965 /nfs/dbraw/zinc/87/19/65/798871965.db2.gz TUQPLJLPOOXBOB-LBPRGKRZSA-N 1 0 264.329 0.056 20 10 CCCDRO COc1cc(CN2CCO[C@H](CO)C2)c(O)c(OC)c1 ZINC001237671647 806708389 /nfs/dbraw/zinc/70/83/89/806708389.db2.gz DKCQJMUAISDNFS-LBPRGKRZSA-N 1 0 283.324 0.603 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001121849080 799076679 /nfs/dbraw/zinc/07/66/79/799076679.db2.gz VYTWUGISUSNPPM-OAHLLOKOSA-N 1 0 278.352 0.855 20 10 CCCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC000083396618 799869513 /nfs/dbraw/zinc/86/95/13/799869513.db2.gz WXQCTASKGRZPAL-LLVKDONJSA-N 1 0 253.371 0.965 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@H](O)CO ZINC001140665910 799927576 /nfs/dbraw/zinc/92/75/76/799927576.db2.gz ZFFCZAHAPOSIFZ-AWEZNQCLSA-N 1 0 298.358 0.447 20 10 CCCDRO C[C@]1(c2ccc(N3CC[C@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC001164286524 802706829 /nfs/dbraw/zinc/70/68/29/802706829.db2.gz RDXFZSMIEYMBBK-IINYFYTJSA-N 1 0 274.324 0.279 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001203585056 803035688 /nfs/dbraw/zinc/03/56/88/803035688.db2.gz LJMDVBJMHFHPPU-RYUDHWBXSA-N 1 0 267.325 0.576 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203595465 803035984 /nfs/dbraw/zinc/03/59/84/803035984.db2.gz BXKQSYLAXPWILY-UHFFFAOYSA-N 1 0 294.351 0.691 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC001203669440 803041299 /nfs/dbraw/zinc/04/12/99/803041299.db2.gz CENGFNGBQVXWRQ-YGRLFVJLSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1cc(CN2CC[NH+](CCCO)CC2)cc(O)c1O ZINC001204342248 803079849 /nfs/dbraw/zinc/07/98/49/803079849.db2.gz JWACFJUFPKZQTE-UHFFFAOYSA-N 1 0 296.367 0.606 20 10 CCCDRO C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)C[C@H]1C[NH3+] ZINC001205145859 803120721 /nfs/dbraw/zinc/12/07/21/803120721.db2.gz KQTOCNQSMLLTPX-WCBMZHEXSA-N 1 0 252.314 0.830 20 10 CCCDRO [NH3+]C[C@]1(O)CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001205688066 803156820 /nfs/dbraw/zinc/15/68/20/803156820.db2.gz DMQFNBGCQMDMDR-CQSZACIVSA-N 1 0 282.340 0.479 20 10 CCCDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2O)C[C@H]1O ZINC001205958242 803190373 /nfs/dbraw/zinc/19/03/73/803190373.db2.gz ABHSVSNXTQTIJA-ZYHUDNBSSA-N 1 0 258.268 0.564 20 10 CCCDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1ccccc1O ZINC001219923417 804447907 /nfs/dbraw/zinc/44/79/07/804447907.db2.gz MANNLRRQWPBDGD-ZDUSSCGKSA-N 1 0 293.367 0.642 20 10 CCCDRO C[C@]1(C(=O)NCCc2cc(O)c(O)cc2O)CCC[NH2+]1 ZINC001220115861 804504108 /nfs/dbraw/zinc/50/41/08/804504108.db2.gz VDIVXHAYKZJMFL-CQSZACIVSA-N 1 0 280.324 0.604 20 10 CCCDRO Cc1cc(C)c(CNC(=O)C2(N)CC[NH2+]CC2)c(O)c1 ZINC001220825538 804673791 /nfs/dbraw/zinc/67/37/91/804673791.db2.gz LIHZNHZSMPWKCH-UHFFFAOYSA-N 1 0 277.368 0.706 20 10 CCCDRO O=C(CCc1ccc(O)c(O)c1)N[C@H]1CCC[NH2+]C1 ZINC001220887010 804691208 /nfs/dbraw/zinc/69/12/08/804691208.db2.gz RLTOEISFHOKXSV-NSHDSACASA-N 1 0 264.325 0.899 20 10 CCCDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc(OC)n1 ZINC001220892488 804692541 /nfs/dbraw/zinc/69/25/41/804692541.db2.gz GAPAVJVRCNQFMO-SNVBAGLBSA-N 1 0 265.313 0.581 20 10 CCCDRO C[N@@H+]1CCC2(CN(Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276829942 804899246 /nfs/dbraw/zinc/89/92/46/804899246.db2.gz DDZMCPLPPWCPQX-UHFFFAOYSA-N 1 0 264.325 0.941 20 10 CCCDRO Oc1c(O)c(O)c(O[C@H]2C[NH+]3CCC2CC3)c(O)c1O ZINC001226465652 805235637 /nfs/dbraw/zinc/23/56/37/805235637.db2.gz VDTAEFCVPDUSKY-ZETCQYMHSA-N 1 0 283.280 0.688 20 10 CCCDRO C[NH+]1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226465262 805235896 /nfs/dbraw/zinc/23/58/96/805235896.db2.gz RGHIPLHZDPYLGD-UHFFFAOYSA-N 1 0 271.269 0.688 20 10 CCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCC[NH2+]C1 ZINC001246087754 807148039 /nfs/dbraw/zinc/14/80/39/807148039.db2.gz YUASCNGVUWAGMP-NEPJUHHUSA-N 1 0 294.351 0.524 20 10 CCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)CN1 ZINC001246170552 807175137 /nfs/dbraw/zinc/17/51/37/807175137.db2.gz MXLUFXQKTRTLHH-RYUDHWBXSA-N 1 0 264.325 0.775 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001249217628 807547509 /nfs/dbraw/zinc/54/75/09/807547509.db2.gz QQQZSNXIPRDVQU-UHFFFAOYSA-N 1 0 290.363 0.855 20 10 CCCDRO CC(C)OC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252666336 807933083 /nfs/dbraw/zinc/93/30/83/807933083.db2.gz ZTIDHSBSFWXZLT-BXUZGUMPSA-N 1 0 285.340 0.507 20 10 CCCDRO CC[NH+](CC)C[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001253210820 808032738 /nfs/dbraw/zinc/03/27/38/808032738.db2.gz OSYDDHZHDOPRAI-GFCCVEGCSA-N 1 0 268.357 0.890 20 10 CCCDRO CCOC(=O)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253788798 808139468 /nfs/dbraw/zinc/13/94/68/808139468.db2.gz KGWVBUUWVPBKPD-GWCFXTLKSA-N 1 0 299.323 0.035 20 10 CCCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC[NH+]1CCC1 ZINC001254338196 808218350 /nfs/dbraw/zinc/21/83/50/808218350.db2.gz HQTWKYKADOFJBG-HWKANZROSA-N 1 0 262.309 0.933 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141159135 811822934 /nfs/dbraw/zinc/82/29/34/811822934.db2.gz AKSCYEQCICMCKX-PJXYFTJBSA-N 1 0 263.293 0.949 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CCN1CCC1)OCO2 ZINC000697419537 814865370 /nfs/dbraw/zinc/86/53/70/814865370.db2.gz SHLRMBPANZZHCU-UHFFFAOYSA-N 1 0 250.298 0.916 20 10 CCCDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c(OC)c1 ZINC001236289533 817234894 /nfs/dbraw/zinc/23/48/94/817234894.db2.gz HXPVZCDRMCRUBU-ZYHUDNBSSA-N 1 0 264.325 0.813 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000702386154 819113654 /nfs/dbraw/zinc/11/36/54/819113654.db2.gz HFSCBIGGWMIXBL-ZDUSSCGKSA-N 1 0 264.373 0.258 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000706722309 819672776 /nfs/dbraw/zinc/67/27/76/819672776.db2.gz FHQFFEIHLOZZJX-DGCLKSJQSA-N 1 0 253.298 0.640 20 10 CCCDRO OC[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706829834 819686821 /nfs/dbraw/zinc/68/68/21/819686821.db2.gz AVUYFBZXABCFDE-SSDOTTSWSA-N 1 0 276.130 0.598 20 10 CCCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001169507613 836313026 /nfs/dbraw/zinc/31/30/26/836313026.db2.gz VESMXGANDYXMCT-NSHDSACASA-N 1 0 250.298 0.808 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499872 840066984 /nfs/dbraw/zinc/06/69/84/840066984.db2.gz NDOHNYKMWJUNCQ-MRVPVSSYSA-N 1 0 266.297 0.501 20 10 CCCDRO CN(C1COC1)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514496 840074852 /nfs/dbraw/zinc/07/48/52/840074852.db2.gz HZPUGYLWKVYELS-UHFFFAOYSA-N 1 0 280.324 0.318 20 10 CCCDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589698 840855238 /nfs/dbraw/zinc/85/52/38/840855238.db2.gz HOIOLTRSILCGKQ-ZETCQYMHSA-N 1 0 254.286 0.483 20 10 CCCDRO CN1CC[N@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204275670 843223334 /nfs/dbraw/zinc/22/33/34/843223334.db2.gz YAOHXMYHABIRGC-UHFFFAOYSA-N 1 0 250.298 0.762 20 10 CCCDRO COc1cccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205947083 847905891 /nfs/dbraw/zinc/90/58/91/847905891.db2.gz WXUWUKKAIISKJO-GHMZBOCLSA-N 1 0 252.314 0.295 20 10 CCCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205967343 848151596 /nfs/dbraw/zinc/15/15/96/848151596.db2.gz MDNPYSCCUQUEDO-GHMZBOCLSA-N 1 0 286.759 0.948 20 10 CCCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)cc1O ZINC001205967635 848161154 /nfs/dbraw/zinc/16/11/54/848161154.db2.gz SMUWCRZKIJSQFG-BXKDBHETSA-N 1 0 268.313 0.000 20 10 CCCDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000398472109 854481539 /nfs/dbraw/zinc/48/15/39/854481539.db2.gz QKDXZFACWVKQIR-JTQLQIEISA-N 1 0 264.325 0.969 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000697277629 855616963 /nfs/dbraw/zinc/61/69/63/855616963.db2.gz KJEHPXNTAPIIGE-CMPLNLGQSA-N 1 0 289.328 0.433 20 10 CCCDRO CNC(=O)C1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001308809463 901193767 /nfs/dbraw/zinc/19/37/67/901193767.db2.gz LGKISUVFMOCOFU-UHFFFAOYSA-N 1 0 264.325 0.887 20 10 CCCDRO C[NH2+]C[C@@H](C)CNC(=O)NCCc1ccc(N)cc1 ZINC001327487577 914568950 /nfs/dbraw/zinc/56/89/50/914568950.db2.gz SJLFNEPXJRITAT-LLVKDONJSA-N 1 0 264.373 0.966 20 10 CCCDRO COc1cccc(C[NH+]2CCC(OCC(N)=O)CC2)c1O ZINC001319707790 910262339 /nfs/dbraw/zinc/26/23/39/910262339.db2.gz ZXPLCXJILCXDGY-UHFFFAOYSA-N 1 0 294.351 0.867 20 10 CCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001330567033 916703918 /nfs/dbraw/zinc/70/39/18/916703918.db2.gz FEZIKSYIWKRRIC-CMPLNLGQSA-N 1 0 291.351 0.299 20 10 CCCDRO CN(C(=O)[C@@H](N)CC[NH+](C)C)c1ccc(N)cc1 ZINC001332981369 918578311 /nfs/dbraw/zinc/57/83/11/918578311.db2.gz OHNBYGMWSFLVBK-LBPRGKRZSA-N 1 0 250.346 0.511 20 10 CCCDRO COC(=O)[C@H]1C[NH+](Cc2ccccc2O)C[C@@H]1C(=O)OC ZINC001333841457 919202279 /nfs/dbraw/zinc/20/22/79/919202279.db2.gz OIFDPIDOCZKAMO-RYUDHWBXSA-N 1 0 293.319 0.786 20 10 CCCDRO C[NH+]1CCC(O)(CNC(=O)NCc2ccc(N)cc2)CC1 ZINC001336290112 920700375 /nfs/dbraw/zinc/70/03/75/920700375.db2.gz HJCIZFXKBNLJMY-UHFFFAOYSA-N 1 0 292.383 0.525 20 10 CCCDRO COc1ccc(CNC(=O)C23CC(C2)C[NH2+]3)c(O)c1 ZINC001341081669 922339992 /nfs/dbraw/zinc/33/99/92/922339992.db2.gz SFKSQIZZHWRLHI-UHFFFAOYSA-N 1 0 262.309 0.769 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)cc1 ZINC001341631018 922590541 /nfs/dbraw/zinc/59/05/41/922590541.db2.gz YPEYEEQTCFVADS-HIFRSBDPSA-N 1 0 277.368 0.482 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CO)cc1F ZINC001341697944 922634785 /nfs/dbraw/zinc/63/47/85/922634785.db2.gz WLGDXAVFPVHGQM-GFCCVEGCSA-N 1 0 283.347 0.608 20 10 CCCDRO CCO[C@H](CNC(=O)Cc1ccc(N)cc1)C[NH+](C)C ZINC001342667182 923046656 /nfs/dbraw/zinc/04/66/56/923046656.db2.gz ZZMKSJRPHJWBKL-CQSZACIVSA-N 1 0 279.384 0.894 20 10 CCCDRO COc1cccc(O)c1CN1CCOC2(C[NH2+]C2)C1 ZINC001347206792 924398350 /nfs/dbraw/zinc/39/83/50/924398350.db2.gz HFPCCLFZYIODNL-UHFFFAOYSA-N 1 0 264.325 0.575 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1cccc(O)c1O ZINC001349079851 924881795 /nfs/dbraw/zinc/88/17/95/924881795.db2.gz UHZXILJWYPVOMB-CMPLNLGQSA-N 1 0 291.351 0.102 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310900 924929700 /nfs/dbraw/zinc/92/97/00/924929700.db2.gz MTNZWCURCIIQOG-JSGCOSHPSA-N 1 0 289.379 0.739 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCNC2=O)c1 ZINC001355370175 926246993 /nfs/dbraw/zinc/24/69/93/926246993.db2.gz HBCHNGBVARPNEK-ZDUSSCGKSA-N 1 0 250.298 0.769 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC001356227189 926357315 /nfs/dbraw/zinc/35/73/15/926357315.db2.gz GCCBWYGYZIVVBL-SKDRFNHKSA-N 1 0 251.330 0.101 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295382402 353893273 /nfs/dbraw/zinc/89/32/73/353893273.db2.gz XQXINCKDUUUZLK-SECBINFHSA-N 1 0 298.314 0.687 20 10 CCCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000092007819 389026788 /nfs/dbraw/zinc/02/67/88/389026788.db2.gz SLMAUVOOSUQROD-MFKMUULPSA-N 1 0 264.325 0.775 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000193469815 389070770 /nfs/dbraw/zinc/07/07/70/389070770.db2.gz LLZLUHRLNMOGDV-HNNXBMFYSA-N 1 0 289.335 0.875 20 10 CCCDRO COc1ccc(N2CCCN(C(=O)C[NH3+])CC2)cc1 ZINC000237279667 389185883 /nfs/dbraw/zinc/18/58/83/389185883.db2.gz CBQJYSNSMDRLBK-UHFFFAOYSA-N 1 0 263.341 0.693 20 10 CCCDRO [NH3+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132915932 389229213 /nfs/dbraw/zinc/22/92/13/389229213.db2.gz RWSIHCXHYGCGRE-UHFFFAOYSA-N 1 0 267.304 0.237 20 10 CCCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000132914335 389229360 /nfs/dbraw/zinc/22/93/60/389229360.db2.gz LJEXIICAZYQLAS-UHFFFAOYSA-N 1 0 293.342 0.770 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000278310553 389559817 /nfs/dbraw/zinc/55/98/17/389559817.db2.gz SXCJWXNWJXHXNM-GFCCVEGCSA-N 1 0 293.367 0.842 20 10 CCCDRO CNC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000182489782 389710157 /nfs/dbraw/zinc/71/01/57/389710157.db2.gz URYMSGYCRWOIOI-CQSZACIVSA-N 1 0 277.368 0.699 20 10 CCCDRO CC(=O)c1cc(F)cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1O ZINC000528610723 390761943 /nfs/dbraw/zinc/76/19/43/390761943.db2.gz YCDZLEZERSQYTL-RYUDHWBXSA-N 1 0 297.326 0.767 20 10 CCCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1ccccc1O ZINC000187169348 286908469 /nfs/dbraw/zinc/90/84/69/286908469.db2.gz VDDKCBCOSLMYQS-LLVKDONJSA-N 1 0 272.370 0.982 20 10 CCCDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157908125 261155413 /nfs/dbraw/zinc/15/54/13/261155413.db2.gz LSAAROXXTWDCJG-NSHDSACASA-N 1 0 264.325 0.851 20 10 CCCDRO [NH3+]CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000158721685 261170446 /nfs/dbraw/zinc/17/04/46/261170446.db2.gz FXGWSUFTQVLBDJ-ZZXKWVIFSA-N 1 0 275.352 0.611 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)c(O)c1 ZINC000529379773 333483835 /nfs/dbraw/zinc/48/38/35/333483835.db2.gz TWGHHICPRUEQAR-NSHDSACASA-N 1 0 295.339 0.188 20 10 CCCDRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000237162671 521774141 /nfs/dbraw/zinc/77/41/41/521774141.db2.gz RLYFCQHPEODOJP-LLVKDONJSA-N 1 0 290.367 0.617 20 10 CCCDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(O)c1O ZINC000187201561 521883979 /nfs/dbraw/zinc/88/39/79/521883979.db2.gz BSUYAUCOJCYWLP-CYBMUJFWSA-N 1 0 268.313 0.140 20 10 CCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+](C)C ZINC000276039978 524892678 /nfs/dbraw/zinc/89/26/78/524892678.db2.gz VZBFMGVNTVVQSL-VIFPVBQESA-N 1 0 252.314 0.707 20 10 CCCDRO COC1CC[NH+](CCNC(=O)c2cccc(O)c2O)CC1 ZINC000790871885 581201267 /nfs/dbraw/zinc/20/12/67/581201267.db2.gz GFRYXQZWLVFJQK-UHFFFAOYSA-N 1 0 294.351 0.938 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(O)c1 ZINC000794383445 581366525 /nfs/dbraw/zinc/36/65/25/581366525.db2.gz NZFHVXXVAGTMTP-NSHDSACASA-N 1 0 264.325 0.969 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000754086426 581575070 /nfs/dbraw/zinc/57/50/70/581575070.db2.gz YNPIAMIHUUYPMU-SECBINFHSA-N 1 0 273.354 0.924 20 10 CCCDRO CCN(CCO)CC[NH2+]Cc1c(O)cccc1OC ZINC000768945455 581663667 /nfs/dbraw/zinc/66/36/67/581663667.db2.gz LYFFYUIBPKIEMD-UHFFFAOYSA-N 1 0 268.357 0.805 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c(O)c1OC ZINC000895433468 617252297 /nfs/dbraw/zinc/25/22/97/617252297.db2.gz NDVKNVXINWFQKH-IAQYHMDHSA-N 1 0 297.351 0.727 20 10 CCCDRO COc1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)c(O)c1 ZINC000846682246 617256180 /nfs/dbraw/zinc/25/61/80/617256180.db2.gz MTHXPTWTIHQJAR-GFCCVEGCSA-N 1 0 281.356 0.296 20 10 CCCDRO COc1ccc(N2CC[C@H](CNC(=O)C[NH3+])C2)cc1 ZINC000843506162 617268019 /nfs/dbraw/zinc/26/80/19/617268019.db2.gz LOUNJCASKGDIDQ-LLVKDONJSA-N 1 0 263.341 0.596 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000828667659 617274049 /nfs/dbraw/zinc/27/40/49/617274049.db2.gz SXLGPTVLNZSNBI-MNOVXSKESA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCCc2nnnn2C)c1 ZINC000898040304 617273169 /nfs/dbraw/zinc/27/31/69/617273169.db2.gz RORHRBCPELRDTP-UHFFFAOYSA-N 1 0 277.328 0.647 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000817419370 617273435 /nfs/dbraw/zinc/27/34/35/617273435.db2.gz UTYGIKDKUYIMJN-LLVKDONJSA-N 1 0 289.339 0.882 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)c1O ZINC000841965153 617298599 /nfs/dbraw/zinc/29/85/99/617298599.db2.gz CQHNFKGJJPLUCK-LLVKDONJSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000922534637 617300070 /nfs/dbraw/zinc/30/00/70/617300070.db2.gz BCPKVRVDKGIOHG-OAHLLOKOSA-N 1 0 296.367 0.184 20 10 CCCDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850852482 614708071 /nfs/dbraw/zinc/70/80/71/614708071.db2.gz ILAFGJGSCFJQIC-CYBMUJFWSA-N 1 0 290.367 0.808 20 10 CCCDRO CC[NH+]1CCN(CC(=O)NCc2cc(C)ccc2O)CC1 ZINC000862760497 615155364 /nfs/dbraw/zinc/15/53/64/615155364.db2.gz SMLHAXXDCFBIDP-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO CCS(=O)(=O)NCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843349814 615345977 /nfs/dbraw/zinc/34/59/77/615345977.db2.gz DNFBKSQEDCJOIZ-UHFFFAOYSA-N 1 0 297.424 0.837 20 10 CCCDRO CCO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000846693451 615415652 /nfs/dbraw/zinc/41/56/52/615415652.db2.gz HFMUBVJQCCZRLI-TZMCWYRMSA-N 1 0 277.368 0.634 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877644407 615516256 /nfs/dbraw/zinc/51/62/56/615516256.db2.gz PDXCKVSEDQCKOH-ZDUSSCGKSA-N 1 0 280.368 0.899 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861549397 616015249 /nfs/dbraw/zinc/01/52/49/616015249.db2.gz HSVMKXDWPDHFOK-ZDUSSCGKSA-N 1 0 292.383 0.540 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)CC1CN(S(C)(=O)=O)C1 ZINC000929970892 616171118 /nfs/dbraw/zinc/17/11/18/616171118.db2.gz LPANTRBDERWGMY-UHFFFAOYSA-N 1 0 284.381 0.715 20 10 CCCDRO COCCOC[C@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923285129 616567174 /nfs/dbraw/zinc/56/71/74/616567174.db2.gz ARVSNGVXPIRPPM-OAHLLOKOSA-N 1 0 294.395 0.922 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000877707151 616597295 /nfs/dbraw/zinc/59/72/95/616597295.db2.gz YBHABAHDMTVWBV-UHFFFAOYSA-N 1 0 278.308 0.000 20 10 CCCDRO COCC[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894247329 616668265 /nfs/dbraw/zinc/66/82/65/616668265.db2.gz FTAPWSNDOSMRPJ-LLVKDONJSA-N 1 0 285.340 0.896 20 10 CCCDRO COC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844545 616685420 /nfs/dbraw/zinc/68/54/20/616685420.db2.gz VSMGSFRSGCUCTD-RISCZKNCSA-N 1 0 293.367 0.364 20 10 CCCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894972535 616827664 /nfs/dbraw/zinc/82/76/64/616827664.db2.gz CIXZKSOOBPRWGY-LLVKDONJSA-N 1 0 294.351 0.977 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894620322 616867436 /nfs/dbraw/zinc/86/74/36/616867436.db2.gz UACKNSHXVFQJAO-LLVKDONJSA-N 1 0 255.314 0.806 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000802658991 616922428 /nfs/dbraw/zinc/92/24/28/616922428.db2.gz BUCIRQLVXQNFNM-JTQLQIEISA-N 1 0 271.313 0.506 20 10 CCCDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000892185064 622652322 /nfs/dbraw/zinc/65/23/22/622652322.db2.gz YVKSQYWWLLVNIT-MNOVXSKESA-N 1 0 279.340 0.741 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000052809038 623064426 /nfs/dbraw/zinc/06/44/26/623064426.db2.gz YMAACEJPPYTTBA-LLVKDONJSA-N 1 0 252.314 0.714 20 10 CCCDRO COc1cccc(C[NH2+]C2COCCOC2)c1O ZINC000310827357 623577282 /nfs/dbraw/zinc/57/72/82/623577282.db2.gz LBZAYFFFJRETMA-UHFFFAOYSA-N 1 0 253.298 0.906 20 10 CCCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000069141784 624690674 /nfs/dbraw/zinc/69/06/74/624690674.db2.gz ADPDNSJVXKKZIR-SNVBAGLBSA-N 1 0 299.348 0.788 20 10 CCCDRO Nc1ccc(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000892039200 625042472 /nfs/dbraw/zinc/04/24/72/625042472.db2.gz RWIROBDIBPZNCI-STQMWFEESA-N 1 0 260.341 0.567 20 10 CCCDRO Cc1ccc(O)c(CN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904403031 634743011 /nfs/dbraw/zinc/74/30/11/634743011.db2.gz ZJRYBUIJWGGLNF-AWEZNQCLSA-N 1 0 250.342 0.986 20 10 CCCDRO Fc1cc(C[NH2+][C@@H]2CNOC2)ccc1N1CCOCC1 ZINC000904421446 634747681 /nfs/dbraw/zinc/74/76/81/634747681.db2.gz DERSHRDPMDETLW-GFCCVEGCSA-N 1 0 281.331 0.655 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927031490 633579215 /nfs/dbraw/zinc/57/92/15/633579215.db2.gz OFIPSFKHQVQNTF-ZJUUUORDSA-N 1 0 273.354 0.448 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000068980857 638283721 /nfs/dbraw/zinc/28/37/21/638283721.db2.gz IJFJCCVWTNMMIO-UHFFFAOYSA-N 1 0 258.343 0.421 20 10 CCCDRO COC[C@@](C)(O)C[NH2+]Cc1cccc(OC)c1O ZINC000069912041 638439367 /nfs/dbraw/zinc/43/93/67/638439367.db2.gz GLTTWFLASFMUEF-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922822292 639801976 /nfs/dbraw/zinc/80/19/76/639801976.db2.gz FPNPPEKCFXJCKB-CYBMUJFWSA-N 1 0 299.392 0.507 20 10 CCCDRO Cc1cc(C[NH+](CCO)CCO)ccc1N(C)C ZINC000815037923 641088642 /nfs/dbraw/zinc/08/86/42/641088642.db2.gz ZYFDLZFWUJMOAV-UHFFFAOYSA-N 1 0 252.358 0.848 20 10 CCCDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1N(C)C ZINC000815055690 641089430 /nfs/dbraw/zinc/08/94/30/641089430.db2.gz JJVAHENRADGNMD-OKILXGFUSA-N 1 0 264.369 0.989 20 10 CCCDRO COc1cc(O)c(C[NH+]2CCC(O)(CO)CC2)cc1OC ZINC000827147853 641984072 /nfs/dbraw/zinc/98/40/72/641984072.db2.gz XFWPKBQEYFJCBZ-UHFFFAOYSA-N 1 0 297.351 0.729 20 10 CCCDRO C[C@@H]1CN(Cc2ccccc2O)CCN1S(C)(=O)=O ZINC000827271411 641994364 /nfs/dbraw/zinc/99/43/64/641994364.db2.gz OYDBPFHNBISMKR-LLVKDONJSA-N 1 0 284.381 0.858 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000834845691 642640505 /nfs/dbraw/zinc/64/05/05/642640505.db2.gz DLTWWQJZQYSABT-NSHDSACASA-N 1 0 269.295 0.925 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c(O)c1 ZINC000843499007 643082775 /nfs/dbraw/zinc/08/27/75/643082775.db2.gz BTMKOTBUOKIRKP-AOOOYVTPSA-N 1 0 250.298 0.754 20 10 CCCDRO Cc1ccc(C[N@H+](CCO)CCN2CCOCC2)c(O)c1 ZINC000876624659 646634248 /nfs/dbraw/zinc/63/42/48/646634248.db2.gz OOBNFUTZRHFBPV-UHFFFAOYSA-N 1 0 294.395 0.827 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(O)c1 ZINC000876737750 646652979 /nfs/dbraw/zinc/65/29/79/646652979.db2.gz UCPATPBATSZSTA-GFCCVEGCSA-N 1 0 284.381 0.954 20 10 CCCDRO Cc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(O)c1 ZINC000876758729 646659971 /nfs/dbraw/zinc/65/99/71/646659971.db2.gz HHGSYIPKJULMDB-HNNXBMFYSA-N 1 0 294.395 0.826 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000877463168 646817863 /nfs/dbraw/zinc/81/78/63/646817863.db2.gz CJZUNBPZIYAFJK-UHFFFAOYSA-N 1 0 284.381 0.954 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CC(N2CC[C@@H](O)C2)C1 ZINC000877604681 646828269 /nfs/dbraw/zinc/82/82/69/646828269.db2.gz FYYSDJZDDPNGHK-CYBMUJFWSA-N 1 0 262.353 0.951 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000877625449 646829248 /nfs/dbraw/zinc/82/92/48/646829248.db2.gz YSWDFGGHYQMSLX-OAHLLOKOSA-N 1 0 281.352 0.958 20 10 CCCDRO Cc1cccc(C[N@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877644905 646831315 /nfs/dbraw/zinc/83/13/15/646831315.db2.gz VGMHWLHZMVOWAR-ZDUSSCGKSA-N 1 0 250.342 0.809 20 10 CCCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000877719882 646836547 /nfs/dbraw/zinc/83/65/47/646836547.db2.gz HFEXZKCQXSABNX-TXEJJXNPSA-N 1 0 274.320 0.747 20 10 CCCDRO Cc1cccc(O)c1C[N@H+](C)CCS(N)(=O)=O ZINC000877826312 646846614 /nfs/dbraw/zinc/84/66/14/646846614.db2.gz YSHVGLYUDZUIRT-UHFFFAOYSA-N 1 0 258.343 0.421 20 10 CCCDRO C[C@H]([NH2+]C[C@H](O)CO)c1ccc(N2CCOCC2)cc1 ZINC000930210124 648836819 /nfs/dbraw/zinc/83/68/19/648836819.db2.gz KJKHYXIQVLAJTG-WFASDCNBSA-N 1 0 280.368 0.527 20 10 CCCDRO COc1cc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)cc1O ZINC001231635484 805822257 /nfs/dbraw/zinc/82/22/57/805822257.db2.gz CZZQOVZYUVVNNV-MNOVXSKESA-N 1 0 292.335 0.626 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)cc1O ZINC001231634466 805822916 /nfs/dbraw/zinc/82/29/16/805822916.db2.gz NKMKLOKGKOHREI-HUUCEWRRSA-N 1 0 297.351 0.672 20 10 CCCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)c1 ZINC001231847251 805861178 /nfs/dbraw/zinc/86/11/78/805861178.db2.gz VRVQAZQSGVKQEP-ZDUSSCGKSA-N 1 0 264.325 0.695 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)CO ZINC001231852513 805863327 /nfs/dbraw/zinc/86/33/27/805863327.db2.gz XBASAEFSHFFQAD-CYBMUJFWSA-N 1 0 268.357 0.546 20 10 CCCDRO CCOc1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064266 806365508 /nfs/dbraw/zinc/36/55/08/806365508.db2.gz WOEYJJILPWZPFP-INIZCTEOSA-N 1 0 291.395 0.928 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(OC)cc1O ZINC001236052758 806534456 /nfs/dbraw/zinc/53/44/56/806534456.db2.gz GFESNUIJWCICAY-LBPRGKRZSA-N 1 0 280.324 0.348 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC001236341527 806572098 /nfs/dbraw/zinc/57/20/98/806572098.db2.gz LJFIVSKMALYLNC-ZIAGYGMSSA-N 1 0 277.368 0.685 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@H]1[NH3+] ZINC001236343000 806572743 /nfs/dbraw/zinc/57/27/43/806572743.db2.gz OFVDVBKAIAICAU-VXGBXAGGSA-N 1 0 280.324 0.333 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2O)C[C@H]1[NH3+] ZINC001236343441 806573134 /nfs/dbraw/zinc/57/31/34/806573134.db2.gz PKUBMIQFWVGNSN-VXGBXAGGSA-N 1 0 280.324 0.333 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001237050972 806634727 /nfs/dbraw/zinc/63/47/27/806634727.db2.gz ZFVNPHKKGKQFHU-IUODEOHRSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1cc(CN(C)CC(=O)N(C)C)c(O)c(OC)c1 ZINC001237676588 806708760 /nfs/dbraw/zinc/70/87/60/806708760.db2.gz QFJXXFOMUCCBOG-UHFFFAOYSA-N 1 0 282.340 0.929 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC001122172586 799160511 /nfs/dbraw/zinc/16/05/11/799160511.db2.gz DDZWCQASJLXDQB-PELKAZGASA-N 1 0 270.304 0.364 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(N)cc1 ZINC001122540395 799259408 /nfs/dbraw/zinc/25/94/08/799259408.db2.gz UDRQQHJVVXHYQF-BXUZGUMPSA-N 1 0 274.368 0.273 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001140958164 799965088 /nfs/dbraw/zinc/96/50/88/799965088.db2.gz SXBVYXUDSGDZJG-ZDUSSCGKSA-N 1 0 276.336 0.744 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(C(N)=O)C2)c(OC)c1 ZINC001141029279 799973649 /nfs/dbraw/zinc/97/36/49/799973649.db2.gz NLKPPRZSWIHLQF-UHFFFAOYSA-N 1 0 266.297 0.327 20 10 CCCDRO CN1CCOc2cc(C[N@H+]3C[C@H](CO)[C@H](O)C3)ccc21 ZINC001141139823 799983171 /nfs/dbraw/zinc/98/31/71/799983171.db2.gz CPHBFCWZWXKQPR-TZMCWYRMSA-N 1 0 278.352 0.300 20 10 CCCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161317 799986923 /nfs/dbraw/zinc/98/69/23/799986923.db2.gz DQLCCXTXZBRYDR-GFCCVEGCSA-N 1 0 294.351 0.825 20 10 CCCDRO O=C(C1=CC(=O)CS1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001153780619 800664400 /nfs/dbraw/zinc/66/44/00/800664400.db2.gz PONSKXOFUHMZIX-VHSXEESVSA-N 1 0 282.365 0.735 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001203589334 803035946 /nfs/dbraw/zinc/03/59/46/803035946.db2.gz GEYIBIUWEVIFTJ-ZFWWWQNUSA-N 1 0 281.352 0.966 20 10 CCCDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882310 803050454 /nfs/dbraw/zinc/05/04/54/803050454.db2.gz BNHBRHNBDYYSSV-UHFFFAOYSA-N 1 0 280.368 0.986 20 10 CCCDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204282521 803077275 /nfs/dbraw/zinc/07/72/75/803077275.db2.gz RMIIVLIWDSITNC-UHFFFAOYSA-N 1 0 280.368 0.986 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001205628758 803152113 /nfs/dbraw/zinc/15/21/13/803152113.db2.gz NLACZKLFHJAUIV-JTQLQIEISA-N 1 0 255.314 0.806 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Cl ZINC001206097430 803207139 /nfs/dbraw/zinc/20/71/39/803207139.db2.gz RIHOMUDCYQSIPY-GHMZBOCLSA-N 1 0 286.759 0.948 20 10 CCCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001206437060 803243216 /nfs/dbraw/zinc/24/32/16/803243216.db2.gz QOUYJSMQHKHMCQ-JGVFFNPUSA-N 1 0 256.277 0.675 20 10 CCCDRO [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC001206530631 803261671 /nfs/dbraw/zinc/26/16/71/803261671.db2.gz NFYOSILTKVHHRS-ONGXEEELSA-N 1 0 256.733 0.797 20 10 CCCDRO O=S(=O)(CC[NH2+]Cc1cc(F)ccc1O)NC1CC1 ZINC001207768410 803447826 /nfs/dbraw/zinc/44/78/26/803447826.db2.gz GWVAGMRHUPOGOG-UHFFFAOYSA-N 1 0 288.344 0.703 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)cc1 ZINC001219831296 804429320 /nfs/dbraw/zinc/42/93/20/804429320.db2.gz FRXPDOOOCLIUBT-BNOWGMLFSA-N 1 0 275.352 0.304 20 10 CCCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)C1 ZINC001220489571 804613486 /nfs/dbraw/zinc/61/34/86/804613486.db2.gz AXPIDLCLFRUCDK-ONGXEEELSA-N 1 0 292.335 0.785 20 10 CCCDRO Cc1cc(C)c(CNC(=O)C[C@@H](O)C[NH3+])c(O)c1 ZINC001220825337 804674826 /nfs/dbraw/zinc/67/48/26/804674826.db2.gz CQIWMMYVUYRXJG-SNVBAGLBSA-N 1 0 252.314 0.335 20 10 CCCDRO CC[C@@H](CO)NC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001221380575 804796115 /nfs/dbraw/zinc/79/61/15/804796115.db2.gz UAUUQVSJSJGWCZ-GXSJLCMTSA-N 1 0 252.314 0.669 20 10 CCCDRO C[NH+](C)CCNC(=S)NCc1cccc(O)c1O ZINC001249849816 807578606 /nfs/dbraw/zinc/57/86/06/807578606.db2.gz RVYFGBTYEWYBPL-UHFFFAOYSA-N 1 0 269.370 0.624 20 10 CCCDRO [NH3+][C@H](CNC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001262069181 809179759 /nfs/dbraw/zinc/17/97/59/809179759.db2.gz WDPWRUJAJMWKRF-GFCCVEGCSA-N 1 0 289.335 0.088 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c(O)c1OC ZINC000893216786 811740684 /nfs/dbraw/zinc/74/06/84/811740684.db2.gz XINFCZUNVARBHQ-AWEZNQCLSA-N 1 0 283.324 0.650 20 10 CCCDRO CN1CCOC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000700154954 818729752 /nfs/dbraw/zinc/72/97/52/818729752.db2.gz FSKDXWLLPMXBQF-LBPRGKRZSA-N 1 0 254.305 0.952 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc(Cn2cncn2)cc1 ZINC001163831783 820373186 /nfs/dbraw/zinc/37/31/86/820373186.db2.gz HHTNUZOGHMRGIX-UHFFFAOYSA-N 1 0 261.329 0.084 20 10 CCCDRO COC(=O)COc1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164286768 820777491 /nfs/dbraw/zinc/77/74/91/820777491.db2.gz XVXQWRIXOPBVTA-SNVBAGLBSA-N 1 0 250.298 0.776 20 10 CCCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001169504104 836310353 /nfs/dbraw/zinc/31/03/53/836310353.db2.gz LGIICWRGTXJOAV-LLVKDONJSA-N 1 0 250.298 0.808 20 10 CCCDRO OC[C@@H]1C[C@H](F)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499167 840065687 /nfs/dbraw/zinc/06/56/87/840065687.db2.gz CXZYXVYOAPOYTN-BDAKNGLRSA-N 1 0 271.288 0.956 20 10 CCCDRO CCNC(=O)C[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144499120 840066007 /nfs/dbraw/zinc/06/60/07/840066007.db2.gz AJORKFNEDHETRP-UHFFFAOYSA-N 1 0 254.286 0.371 20 10 CCCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]12 ZINC001144514648 840074728 /nfs/dbraw/zinc/07/47/28/840074728.db2.gz NFZFFQGJDSGHOZ-WPRPVWTQSA-N 1 0 278.308 0.371 20 10 CCCDRO O=C(c1cc(O)c(O)c(O)c1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001148588670 840851637 /nfs/dbraw/zinc/85/16/37/840851637.db2.gz ZOAHKCOCNRDTDL-SECBINFHSA-N 1 0 264.281 0.334 20 10 CCCDRO C[NH+]1CCC(OCC(=O)NCc2c(O)cccc2O)CC1 ZINC001178917806 842939964 /nfs/dbraw/zinc/93/99/64/842939964.db2.gz SPOOWCPERMEWQT-UHFFFAOYSA-N 1 0 294.351 0.825 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC001182239028 843758242 /nfs/dbraw/zinc/75/82/42/843758242.db2.gz RXNZCBNWGGGPQX-NSHDSACASA-N 1 0 278.312 0.143 20 10 CCCDRO CC(C)[N@@H+]1CC[C@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001182862348 843932009 /nfs/dbraw/zinc/93/20/09/843932009.db2.gz XYUQFCWCBFNFSD-NSHDSACASA-N 1 0 294.351 0.945 20 10 CCCDRO O=C1NCC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203880030 846932128 /nfs/dbraw/zinc/93/21/28/846932128.db2.gz MINAMITVHBNAAU-WDEREUQCSA-N 1 0 262.309 0.666 20 10 CCCDRO C[C@@H](C[NH2+]CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275467826 848728544 /nfs/dbraw/zinc/72/85/44/848728544.db2.gz PUUJNVYVMLLMLL-VIFPVBQESA-N 1 0 293.327 0.549 20 10 CCCDRO COCC(COC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000388477261 853976464 /nfs/dbraw/zinc/97/64/64/853976464.db2.gz RNWNWWXNVKTVIW-UHFFFAOYSA-N 1 0 269.297 0.872 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000697277632 855616888 /nfs/dbraw/zinc/61/68/88/855616888.db2.gz KJEHPXNTAPIIGE-JQWIXIFHSA-N 1 0 289.328 0.433 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000697290674 894315690 /nfs/dbraw/zinc/31/56/90/894315690.db2.gz SEQABMQLIMKKCD-AAEUAGOBSA-N 1 0 285.365 0.602 20 10 CCCDRO Nc1ccc(CC(=O)N2CCC(O)(C[NH3+])CC2)cc1 ZINC001326452963 913964546 /nfs/dbraw/zinc/96/45/46/913964546.db2.gz LEVMWIQMXREJEG-UHFFFAOYSA-N 1 0 263.341 0.124 20 10 CCCDRO COc1ccc(N(C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC001326796088 914180735 /nfs/dbraw/zinc/18/07/35/914180735.db2.gz QIJZWFILDUCSBW-UHFFFAOYSA-N 1 0 293.367 0.572 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC001340775361 908548920 /nfs/dbraw/zinc/54/89/20/908548920.db2.gz DDKAKZUEEYYHOM-UHFFFAOYSA-N 1 0 299.392 0.730 20 10 CCCDRO CN(CC[NH+](C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331939276 917735298 /nfs/dbraw/zinc/73/52/98/917735298.db2.gz WHEDWNKSKZVFGW-UHFFFAOYSA-N 1 0 291.351 0.254 20 10 CCCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001356254843 926361461 /nfs/dbraw/zinc/36/14/61/926361461.db2.gz WUKYJRGUMUWYSU-SWLSCSKDSA-N 1 0 290.411 0.562 20 10 CCCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2c(O)cccc2F)C1 ZINC001358168133 926650048 /nfs/dbraw/zinc/65/00/48/926650048.db2.gz OIHUJWDKYKXSGN-XPTSAGLGSA-N 1 0 282.315 0.915 20 10 CCCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000036794281 348171257 /nfs/dbraw/zinc/17/12/57/348171257.db2.gz HYTIIOYRRLWZLK-VIFPVBQESA-N 1 0 252.314 0.967 20 10 CCCDRO CS(=O)(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880198 348300221 /nfs/dbraw/zinc/30/02/21/348300221.db2.gz RFJIYUPVXDTOTG-UHFFFAOYSA-N 1 0 273.310 0.255 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)CNC(=O)C[NH3+])cc1 ZINC000274420729 353127742 /nfs/dbraw/zinc/12/77/42/353127742.db2.gz LHAFUBVMDZZLHF-UHFFFAOYSA-N 1 0 292.383 0.224 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC000294934244 199258575 /nfs/dbraw/zinc/25/85/75/199258575.db2.gz ZQJMULPCSNTAKQ-GFCCVEGCSA-N 1 0 267.325 0.984 20 10 CCCDRO [NH3+][C@@H]1CC=C(C(=O)N2CC(=O)Nc3cnccc32)C1 ZINC000638090699 374651641 /nfs/dbraw/zinc/65/16/41/374651641.db2.gz KLNVJHBJWUDNLD-SECBINFHSA-N 1 0 258.281 0.414 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1 ZINC000092735666 389032530 /nfs/dbraw/zinc/03/25/30/389032530.db2.gz DINNMIYKGMEKFY-GFCCVEGCSA-N 1 0 250.298 0.387 20 10 CCCDRO CN(C)c1ccc(C[N@H+](CCO)CCCO)cc1 ZINC000093323731 389036906 /nfs/dbraw/zinc/03/69/06/389036906.db2.gz HOIAOHIUQOEFEV-UHFFFAOYSA-N 1 0 252.358 0.929 20 10 CCCDRO COCC[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000120862669 389145416 /nfs/dbraw/zinc/14/54/16/389145416.db2.gz RUUPGMSULOPQIK-UHFFFAOYSA-N 1 0 294.351 0.885 20 10 CCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269260681 389410434 /nfs/dbraw/zinc/41/04/34/389410434.db2.gz VPFPITQCNQPYRR-GFCCVEGCSA-N 1 0 291.395 0.859 20 10 CCCDRO COCC(=O)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000179673364 389661875 /nfs/dbraw/zinc/66/18/75/389661875.db2.gz DFJXQGDRAXKPNO-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO NC(=O)[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000179940904 389663981 /nfs/dbraw/zinc/66/39/81/389663981.db2.gz VHVIEFXSZDIYKX-JTQLQIEISA-N 1 0 270.716 0.732 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@@H](C(N)=O)C2)c1 ZINC000179940761 389664357 /nfs/dbraw/zinc/66/43/57/389664357.db2.gz NYETUXCRRWCWGW-GFCCVEGCSA-N 1 0 266.297 0.087 20 10 CCCDRO CC[NH+]1CCN(CC(=O)Nc2ccc(N)cc2)CC1 ZINC000022211043 171373267 /nfs/dbraw/zinc/37/32/67/171373267.db2.gz PHJOYIXTJIXTOE-UHFFFAOYSA-N 1 0 262.357 0.845 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@@H](O)COC)c1O ZINC000071269760 521365412 /nfs/dbraw/zinc/36/54/12/521365412.db2.gz GWULCHRPJYQPFH-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO COC[C@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084963961 522789401 /nfs/dbraw/zinc/78/94/01/522789401.db2.gz CQQQZYLNMOQGRA-CYBMUJFWSA-N 1 0 298.358 0.964 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000364575538 527480483 /nfs/dbraw/zinc/48/04/83/527480483.db2.gz AYWGCTFSSSBUOI-UKRRQHHQSA-N 1 0 259.353 0.927 20 10 CCCDRO COc1cc(Cl)cc(C[NH2+]CCc2nnnn2C)c1O ZINC000761215422 581897246 /nfs/dbraw/zinc/89/72/46/581897246.db2.gz LKFXUUZOXYELOG-UHFFFAOYSA-N 1 0 297.746 0.910 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000762556348 581951198 /nfs/dbraw/zinc/95/11/98/581951198.db2.gz NWGCFFXAWDZEHP-CQSZACIVSA-N 1 0 266.341 0.557 20 10 CCCDRO C[C@H]([NH2+]CC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775256378 582016744 /nfs/dbraw/zinc/01/67/44/582016744.db2.gz YIWPPLVVQBXCIM-NSHDSACASA-N 1 0 263.341 0.659 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c(O)c1 ZINC000907925509 617256720 /nfs/dbraw/zinc/25/67/20/617256720.db2.gz HYDXESIZSSRVEJ-NHYWBVRUSA-N 1 0 294.351 0.472 20 10 CCCDRO COc1ccc(C[NH2+][C@H](C)C(N)=O)c(O)c1OC ZINC000894066944 617260230 /nfs/dbraw/zinc/26/02/30/617260230.db2.gz OMIINMTXNQTPHH-SSDOTTSWSA-N 1 0 254.286 0.373 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]3[NH3+])C2)cc1 ZINC000818269753 617267934 /nfs/dbraw/zinc/26/79/34/617267934.db2.gz JCPGNYLOKVYHMS-GLQYFDAESA-N 1 0 289.379 0.985 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000852885980 617274105 /nfs/dbraw/zinc/27/41/05/617274105.db2.gz WFIFBBNDDKAHGG-PXWWUCIGSA-N 1 0 294.351 0.942 20 10 CCCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000918746352 617272678 /nfs/dbraw/zinc/27/26/78/617272678.db2.gz WOZYPDOJXIHECK-LLVKDONJSA-N 1 0 279.340 0.904 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@]2(OCCO)CCOC2)c1 ZINC000826942561 617273277 /nfs/dbraw/zinc/27/32/77/617273277.db2.gz QNPKHIRLUHWSEL-OAHLLOKOSA-N 1 0 297.351 0.658 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000824959353 617305349 /nfs/dbraw/zinc/30/53/49/617305349.db2.gz DZEDDIIOYHBNQU-SNVBAGLBSA-N 1 0 250.298 0.851 20 10 CCCDRO COc1cccc(O)c1C[NH+]1CCC(O)(CO)CC1 ZINC000827146620 617305431 /nfs/dbraw/zinc/30/54/31/617305431.db2.gz HYNWJXLLRMCWHA-UHFFFAOYSA-N 1 0 267.325 0.720 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]CCc2nnnn2C)c1O ZINC000846146805 617309107 /nfs/dbraw/zinc/30/91/07/617309107.db2.gz LOOIJAFTWUFSIP-VIFPVBQESA-N 1 0 277.328 0.818 20 10 CCCDRO CCN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000854115505 614921095 /nfs/dbraw/zinc/92/10/95/614921095.db2.gz VPGRSATUINVROZ-KGLIPLIRSA-N 1 0 277.368 0.563 20 10 CCCDRO CCN(OC)C(=O)C[NH2+]Cc1cc(OC)ccc1O ZINC000843429912 615075952 /nfs/dbraw/zinc/07/59/52/615075952.db2.gz CVIPEYRHKVUXNX-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CCN(OC)C(=O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895115621 615075990 /nfs/dbraw/zinc/07/59/90/615075990.db2.gz QOCHBJKGAWPXIB-UHFFFAOYSA-N 1 0 298.339 0.909 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@](O)(C(=O)OC)C2)c1O ZINC000895708569 615516580 /nfs/dbraw/zinc/51/65/80/615516580.db2.gz SLOOKXCUFLVBSX-OAHLLOKOSA-N 1 0 295.335 0.901 20 10 CCCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC000848885124 615682914 /nfs/dbraw/zinc/68/29/14/615682914.db2.gz MABYNRWJQYYIGF-GFCCVEGCSA-N 1 0 264.325 0.641 20 10 CCCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922140028 615965467 /nfs/dbraw/zinc/96/54/67/615965467.db2.gz GNJRZTXQJBRLNQ-UHFFFAOYSA-N 1 0 298.408 0.993 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1F ZINC000852862786 616014269 /nfs/dbraw/zinc/01/42/69/616014269.db2.gz GKXKAUXKJZGHLZ-SNVBAGLBSA-N 1 0 294.330 0.612 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN(C)[C@H]2CC[NH2+]C2)cc1 ZINC000844220011 616014281 /nfs/dbraw/zinc/01/42/81/616014281.db2.gz QSUOWBAVXNZDRL-HNNXBMFYSA-N 1 0 290.411 0.663 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749189 616014315 /nfs/dbraw/zinc/01/43/15/616014315.db2.gz PYQPKFUORUXPCC-KGLIPLIRSA-N 1 0 250.342 0.680 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000841761264 616015161 /nfs/dbraw/zinc/01/51/61/616015161.db2.gz OKMWGXJWNFUWQX-YABSGUDNSA-N 1 0 292.358 0.909 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1 ZINC000839181439 616015957 /nfs/dbraw/zinc/01/59/57/616015957.db2.gz XLMOWRPTFNLAJO-CQSZACIVSA-N 1 0 275.356 0.495 20 10 CCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCO)[NH+](C)C)cc1 ZINC000929914481 616019529 /nfs/dbraw/zinc/01/95/29/616019529.db2.gz BJIINFTVYJGNFS-AWEZNQCLSA-N 1 0 294.399 0.647 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(N)cn2)cc1 ZINC000873210603 616019708 /nfs/dbraw/zinc/01/97/08/616019708.db2.gz LLPGPMKFMDYNID-CQSZACIVSA-N 1 0 286.383 0.914 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)CCOC1C[NH2+]C1 ZINC000827204936 616170827 /nfs/dbraw/zinc/17/08/27/616170827.db2.gz ABRXSOHCMJLZOU-UHFFFAOYSA-N 1 0 264.325 0.729 20 10 CCCDRO CN1CCN(C(=O)Nc2ccc(N)cc2)CC[N@H+](C)CC1 ZINC000904501704 616235657 /nfs/dbraw/zinc/23/56/57/616235657.db2.gz WPCYZNCZPWOFDB-UHFFFAOYSA-N 1 0 291.399 0.980 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132167 616346511 /nfs/dbraw/zinc/34/65/11/616346511.db2.gz RTAQHFBMWCPGLH-IINYFYTJSA-N 1 0 280.324 0.169 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942381 616346820 /nfs/dbraw/zinc/34/68/20/616346820.db2.gz CGIBGSPZARASAY-SMDDNHRTSA-N 1 0 280.324 0.169 20 10 CCCDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(O)c2O)C1 ZINC000816950173 616361487 /nfs/dbraw/zinc/36/14/87/616361487.db2.gz MUMITQUURHBUNX-ONGXEEELSA-N 1 0 262.309 0.874 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942377 616500879 /nfs/dbraw/zinc/50/08/79/616500879.db2.gz CGIBGSPZARASAY-BXUZGUMPSA-N 1 0 280.324 0.169 20 10 CCCDRO CNC(=O)C1([NH2+]Cc2cccc(OC)c2O)CCOCC1 ZINC000895884178 616550640 /nfs/dbraw/zinc/55/06/40/616550640.db2.gz LFTQMBUUHPOQMC-UHFFFAOYSA-N 1 0 294.351 0.786 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000884309879 616679777 /nfs/dbraw/zinc/67/97/77/616679777.db2.gz IAEJWSAEBIMWPT-SKDRFNHKSA-N 1 0 282.340 0.942 20 10 CCCDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828667443 616692829 /nfs/dbraw/zinc/69/28/29/616692829.db2.gz PRJLJVOXXRFXHI-KCJUWKMLSA-N 1 0 296.323 0.468 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000850360770 616832514 /nfs/dbraw/zinc/83/25/14/616832514.db2.gz JLBGJMXDZARPRS-GXTWGEPZSA-N 1 0 299.392 0.911 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122019 616922400 /nfs/dbraw/zinc/92/24/00/616922400.db2.gz KWLSAYXKAYVMRQ-INIZCTEOSA-N 1 0 294.395 0.745 20 10 CCCDRO CN(C)c1ccc(CNC(=O)COCC[NH3+])cc1 ZINC000093231889 625826619 /nfs/dbraw/zinc/82/66/19/625826619.db2.gz GSBSFBJBFAFJGX-UHFFFAOYSA-N 1 0 251.330 0.344 20 10 CCCDRO [NH3+][C@@]1(CO)CCCN(Cc2cc(F)ccc2O)C1 ZINC000904400771 634742740 /nfs/dbraw/zinc/74/27/40/634742740.db2.gz ARXJIMVGSLFRBK-ZDUSSCGKSA-N 1 0 254.305 0.817 20 10 CCCDRO CC[NH+]1CCN(CC(=O)NCCc2ccc(N)cc2)CC1 ZINC000236871739 631429909 /nfs/dbraw/zinc/42/99/09/631429909.db2.gz GYHPMEGIOUQZDG-UHFFFAOYSA-N 1 0 290.411 0.565 20 10 CCCDRO Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)c(O)c1O ZINC000924988746 631698468 /nfs/dbraw/zinc/69/84/68/631698468.db2.gz PTYRSOJKJGMPQX-UWVGGRQHSA-N 1 0 280.324 0.201 20 10 CCCDRO Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)c(O)c1O ZINC000924988741 631698506 /nfs/dbraw/zinc/69/85/06/631698506.db2.gz PTYRSOJKJGMPQX-NXEZZACHSA-N 1 0 280.324 0.201 20 10 CCCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1 ZINC000927027273 633577935 /nfs/dbraw/zinc/57/79/35/633577935.db2.gz SUNJNMYNYGPEOA-MNOVXSKESA-N 1 0 287.381 0.757 20 10 CCCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000225320526 636942349 /nfs/dbraw/zinc/94/23/49/636942349.db2.gz YNFRKYWKMVIEBJ-LBPRGKRZSA-N 1 0 293.367 0.456 20 10 CCCDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922064886 639473997 /nfs/dbraw/zinc/47/39/97/639473997.db2.gz RUXSSMVZYVHSSM-LBPRGKRZSA-N 1 0 289.335 0.731 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922308542 639646095 /nfs/dbraw/zinc/64/60/95/639646095.db2.gz DLQPJRPXJFOLMK-MFKMUULPSA-N 1 0 251.326 0.843 20 10 CCCDRO NC(=O)NC(=O)CC[NH2+]CCCSc1nccs1 ZINC000819062074 641377432 /nfs/dbraw/zinc/37/74/32/641377432.db2.gz ASZCIQDSLOWJTK-UHFFFAOYSA-N 1 0 288.398 0.800 20 10 CCCDRO O[C@H]1COCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824620429 641835981 /nfs/dbraw/zinc/83/59/81/641835981.db2.gz ODJLYMJFXNAWDT-MRXNPFEDSA-N 1 0 292.379 0.716 20 10 CCCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567290 642017441 /nfs/dbraw/zinc/01/74/41/642017441.db2.gz GHQFJPHEHPSRLW-LBPRGKRZSA-N 1 0 277.368 0.877 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000834860526 642640150 /nfs/dbraw/zinc/64/01/50/642640150.db2.gz BHURYMUIPUHTIX-ZDUSSCGKSA-N 1 0 263.341 0.306 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CNCCO1)OCO2 ZINC000841099759 642803466 /nfs/dbraw/zinc/80/34/66/642803466.db2.gz XOXXKIKKOYJQDM-JTQLQIEISA-N 1 0 266.297 0.199 20 10 CCCDRO Cn1cnnc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000848925117 643690172 /nfs/dbraw/zinc/69/01/72/643690172.db2.gz NYLYWABRXDVLCX-UHFFFAOYSA-N 1 0 273.340 0.843 20 10 CCCDRO Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)c(O)c1O ZINC000854465963 644208318 /nfs/dbraw/zinc/20/83/18/644208318.db2.gz VHOUVXBGBIJZJV-VIFPVBQESA-N 1 0 268.313 0.059 20 10 CCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858178391 644597833 /nfs/dbraw/zinc/59/78/33/644597833.db2.gz WHKNHNVECFDWIC-GMSGAONNSA-N 1 0 290.157 0.986 20 10 CCCDRO Nc1ccc(OCc2cn(C[C@H]3C[NH2+]CCO3)nn2)cc1 ZINC000864650883 645259688 /nfs/dbraw/zinc/25/96/88/645259688.db2.gz NMGLDBXQOOOATL-CQSZACIVSA-N 1 0 289.339 0.428 20 10 CCCDRO C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1O ZINC000870988386 646073922 /nfs/dbraw/zinc/07/39/22/646073922.db2.gz OCFSGVKGTLCZIM-WDEREUQCSA-N 1 0 264.325 0.948 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCOCCS(C)(=O)=O ZINC000877043090 646721616 /nfs/dbraw/zinc/72/16/16/646721616.db2.gz ATOWNPAIXVIDPY-UHFFFAOYSA-N 1 0 287.381 0.851 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000877658845 646832613 /nfs/dbraw/zinc/83/26/13/646832613.db2.gz YQAIHCWOGNWYGF-LLVKDONJSA-N 1 0 264.325 0.777 20 10 CCCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000193014571 649521652 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ZINC001233483004 806059567 /nfs/dbraw/zinc/05/95/67/806059567.db2.gz KPUGYUPLRGFMEH-CYBMUJFWSA-N 1 0 269.297 0.387 20 10 CCCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486748 806062417 /nfs/dbraw/zinc/06/24/17/806062417.db2.gz ZYJSWQVRVRXMJZ-JTQLQIEISA-N 1 0 280.324 0.856 20 10 CCCDRO Oc1cc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)cc1Cl ZINC001234991119 806338316 /nfs/dbraw/zinc/33/83/16/806338316.db2.gz WMTMOBKHXMPHKA-AWEZNQCLSA-N 1 0 297.786 0.889 20 10 CCCDRO Oc1ccc(F)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052566 806355052 /nfs/dbraw/zinc/35/50/52/806355052.db2.gz GAOFXWXCDNIKRB-AWEZNQCLSA-N 1 0 265.332 0.669 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2O)C[C@@H]1[NH3+] ZINC001236343430 806572735 /nfs/dbraw/zinc/57/27/35/806572735.db2.gz PKUBMIQFWVGNSN-NEPJUHHUSA-N 1 0 280.324 0.333 20 10 CCCDRO CCc1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001236792849 806610910 /nfs/dbraw/zinc/61/09/10/806610910.db2.gz SEZBBOAQGZNVNI-CQSZACIVSA-N 1 0 290.363 0.998 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001236808594 806612307 /nfs/dbraw/zinc/61/23/07/806612307.db2.gz QQWCTVHFWOUYTA-IAQYHMDHSA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001236809201 806612805 /nfs/dbraw/zinc/61/28/05/806612805.db2.gz UMBZPPREFVDZDP-NSHDSACASA-N 1 0 267.325 0.902 20 10 CCCDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1 ZINC001120591934 798881297 /nfs/dbraw/zinc/88/12/97/798881297.db2.gz MUHJOZXRGGVSCI-MFKMUULPSA-N 1 0 278.356 0.526 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cccc(F)c2O)CCN1C ZINC001138129778 799702531 /nfs/dbraw/zinc/70/25/31/799702531.db2.gz WBIPQZXHXJPYBR-GFCCVEGCSA-N 1 0 282.315 0.820 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140058076 799877774 /nfs/dbraw/zinc/87/77/74/799877774.db2.gz SDEAGOAGTPYJHD-GWCFXTLKSA-N 1 0 255.289 0.706 20 10 CCCDRO O=C1CC[N@H+](Cc2cc(F)c(F)cc2[O-])CCN1 ZINC001142502889 800126623 /nfs/dbraw/zinc/12/66/23/800126623.db2.gz ZPGSGHNKBRKMJB-UHFFFAOYSA-N 1 0 256.252 0.992 20 10 CCCDRO Nc1ccc(CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158179124 801584247 /nfs/dbraw/zinc/58/42/47/801584247.db2.gz IRLIINKMISWCIO-TZMCWYRMSA-N 1 0 275.352 0.258 20 10 CCCDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc(O)c1O ZINC001161023444 802067173 /nfs/dbraw/zinc/06/71/73/802067173.db2.gz KSGIIPSYBVKRDK-MRVPVSSYSA-N 1 0 266.297 0.540 20 10 CCCDRO COC(=O)c1cc(N2CC[C@H]([NH3+])C2)cc2c1OCC(=O)N2 ZINC001164281499 802705121 /nfs/dbraw/zinc/70/51/21/802705121.db2.gz FPEAZCGZBWKIFS-QMMMGPOBSA-N 1 0 291.307 0.342 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001203590498 803035095 /nfs/dbraw/zinc/03/50/95/803035095.db2.gz ZVMXNCXETXZQKO-QWRGUYRKSA-N 1 0 253.298 0.186 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001203589331 803036447 /nfs/dbraw/zinc/03/64/47/803036447.db2.gz GEYIBIUWEVIFTJ-DZGCQCFKSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001203670598 803041097 /nfs/dbraw/zinc/04/10/97/803041097.db2.gz UPCVKTQJCWKVOE-GXFFZTMASA-N 1 0 253.298 0.186 20 10 CCCDRO CNC(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880002 803051218 /nfs/dbraw/zinc/05/12/18/803051218.db2.gz IIULTBKGVXUTDZ-UHFFFAOYSA-N 1 0 279.340 0.991 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204279016 803076464 /nfs/dbraw/zinc/07/64/64/803076464.db2.gz NRVQNELNNWKPKV-PJXYFTJBSA-N 1 0 263.293 0.949 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1O ZINC001205347065 803135850 /nfs/dbraw/zinc/13/58/50/803135850.db2.gz JOXIACRVHSMUIH-MWLCHTKSSA-N 1 0 287.157 0.659 20 10 CCCDRO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(O)c(O)c2)C1 ZINC001205665026 803152561 /nfs/dbraw/zinc/15/25/61/803152561.db2.gz QBDSPOKPYKRJJX-AWEZNQCLSA-N 1 0 266.341 0.774 20 10 CCCDRO COc1cc(CN2CCCC[C@](O)(C[NH3+])C2)cc(O)c1O ZINC001205672654 803154847 /nfs/dbraw/zinc/15/48/47/803154847.db2.gz KDYAJUBTKHNHNQ-HNNXBMFYSA-N 1 0 296.367 0.782 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[C@H]1O ZINC001206102071 803208084 /nfs/dbraw/zinc/20/80/84/803208084.db2.gz MCCQDVIBBOTQTL-NXEZZACHSA-N 1 0 258.268 0.564 20 10 CCCDRO CCOc1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206102249 803208202 /nfs/dbraw/zinc/20/82/02/803208202.db2.gz VDGSUBQMXQPXJR-CHWSQXEVSA-N 1 0 266.341 0.685 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CN1 ZINC001246237726 807195344 /nfs/dbraw/zinc/19/53/44/807195344.db2.gz BWUIHTNNEFYKAX-FOGDFJRCSA-N 1 0 264.325 0.946 20 10 CCCDRO C[NH+](C)CCNC(=S)NCc1ccc(O)cc1O ZINC001249845729 807576518 /nfs/dbraw/zinc/57/65/18/807576518.db2.gz IIYTUAHZNPTYFS-UHFFFAOYSA-N 1 0 269.370 0.624 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H](O)CN2CCOCC2)cc1C ZINC001251046242 807655790 /nfs/dbraw/zinc/65/57/90/807655790.db2.gz POEBIJODOMAMHO-HNNXBMFYSA-N 1 0 294.395 0.786 20 10 CCCDRO COC(=O)[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252428780 807845229 /nfs/dbraw/zinc/84/52/29/807845229.db2.gz VCQWGATXOHYFNL-GFCCVEGCSA-N 1 0 251.282 0.284 20 10 CCCDRO CC(C)OC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252692247 807942605 /nfs/dbraw/zinc/94/26/05/807942605.db2.gz XPVFDDJBPRBXLB-LLVKDONJSA-N 1 0 285.340 0.721 20 10 CCCDRO CC[NH+](CC)C[C@@H](O)CNC[C@H](O)c1ccc(O)c(O)c1 ZINC001253175517 808017332 /nfs/dbraw/zinc/01/73/32/808017332.db2.gz NUCFWRZTMCXPIG-WFASDCNBSA-N 1 0 298.383 0.424 20 10 CCCDRO C[N@H+](Cc1ccccc1O)CC1(O)CCS(=O)(=O)CC1 ZINC001253940904 808161229 /nfs/dbraw/zinc/16/12/29/808161229.db2.gz FKWUEXRBRPVNCS-UHFFFAOYSA-N 1 0 299.392 0.764 20 10 CCCDRO C[NH+]1CCC(NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001256197924 808475554 /nfs/dbraw/zinc/47/55/54/808475554.db2.gz UTWCHIGZHGTGNB-UHFFFAOYSA-N 1 0 264.325 0.964 20 10 CCCDRO Nc1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC001263303924 809505427 /nfs/dbraw/zinc/50/54/27/809505427.db2.gz NHPWSFNMBKSCKU-LLVKDONJSA-N 1 0 285.351 0.999 20 10 CCCDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000398510136 811941998 /nfs/dbraw/zinc/94/19/98/811941998.db2.gz OXKXDOKXPYZZMS-VIFPVBQESA-N 1 0 278.308 0.689 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)cc1O ZINC001236298590 817251782 /nfs/dbraw/zinc/25/17/82/817251782.db2.gz WQRSOPPZKQLFGA-VHSXEESVSA-N 1 0 250.298 0.510 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001203621569 844442435 /nfs/dbraw/zinc/44/24/35/844442435.db2.gz XLTRVBQNPXOROP-MFKMUULPSA-N 1 0 253.298 0.186 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC001144509002 840072725 /nfs/dbraw/zinc/07/27/25/840072725.db2.gz GZPJBBDMZTZEFY-NSHDSACASA-N 1 0 294.351 0.710 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001161135153 840876616 /nfs/dbraw/zinc/87/66/16/840876616.db2.gz UKIALSMBXMVMNF-GJZGRUSLSA-N 1 0 290.411 0.648 20 10 CCCDRO Oc1ccc(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001204271739 843190879 /nfs/dbraw/zinc/19/08/79/843190879.db2.gz FANBSMMXLPXDMC-UHFFFAOYSA-N 1 0 264.325 0.614 20 10 CCCDRO CC1(C)C[N@H+](Cc2ccc(O)cc2O)CCN1CC(N)=O ZINC001204278284 843265542 /nfs/dbraw/zinc/26/55/42/843265542.db2.gz CWAXQNNNQLLMRV-UHFFFAOYSA-N 1 0 293.367 0.479 20 10 CCCDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717350223 848235971 /nfs/dbraw/zinc/23/59/71/848235971.db2.gz AWHUKAHZXGJVKE-VXGBXAGGSA-N 1 0 250.342 0.892 20 10 CCCDRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC001120371760 857048404 /nfs/dbraw/zinc/04/84/04/857048404.db2.gz PVOGTRRRKUUPTE-LBPRGKRZSA-N 1 0 269.370 0.392 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(C)=O)cc1C ZINC001486255970 898729509 /nfs/dbraw/zinc/72/95/09/898729509.db2.gz WORHKKJFUZSTRC-AWEZNQCLSA-N 1 0 280.368 0.932 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](O)C[NH3+] ZINC001340113516 908502704 /nfs/dbraw/zinc/50/27/04/908502704.db2.gz SQNCGDYNVZENBP-NSHDSACASA-N 1 0 279.340 0.188 20 10 CCCDRO C[NH+]1CCN(c2ccc(C[NH2+]CC(=O)[O-])cc2)CC1 ZINC001321694541 911450116 /nfs/dbraw/zinc/45/01/16/911450116.db2.gz SEJXFWBLXMTACK-UHFFFAOYSA-N 1 0 263.341 0.613 20 10 CCCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C(N)=O)cc1C ZINC001328402781 915168149 /nfs/dbraw/zinc/16/81/49/915168149.db2.gz PQYPXCMYUPGQFF-NSHDSACASA-N 1 0 293.367 0.473 20 10 CCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329953282 916308801 /nfs/dbraw/zinc/30/88/01/916308801.db2.gz SJURFINGTNECRR-KOLCDFICSA-N 1 0 289.335 0.183 20 10 CCCDRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332115914 917872782 /nfs/dbraw/zinc/87/27/82/917872782.db2.gz JKMVGEXIFJKJDF-JTQLQIEISA-N 1 0 289.335 0.042 20 10 CCCDRO C[N@H+](CCNS(C)(=O)=O)Cc1ccc(N)cc1 ZINC001334753922 919742658 /nfs/dbraw/zinc/74/26/58/919742658.db2.gz IPWMFXGYTVQUAM-UHFFFAOYSA-N 1 0 257.359 0.250 20 10 CCCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001336124096 920621540 /nfs/dbraw/zinc/62/15/40/920621540.db2.gz ISFNNSMFBQFWMS-ZWNOBZJWSA-N 1 0 262.357 0.800 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001340790509 922221174 /nfs/dbraw/zinc/22/11/74/922221174.db2.gz LVXQBOJMFDNRDJ-RISCZKNCSA-N 1 0 279.384 0.585 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001340790508 922221845 /nfs/dbraw/zinc/22/18/45/922221845.db2.gz LVXQBOJMFDNRDJ-FZMZJTMJSA-N 1 0 279.384 0.585 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001341768727 922665170 /nfs/dbraw/zinc/66/51/70/922665170.db2.gz WGWJTIQGHWGMIF-ONOSFVFSSA-N 1 0 250.273 0.898 20 10 CCCDRO Nc1ccc(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC001342699407 923058625 /nfs/dbraw/zinc/05/86/25/923058625.db2.gz LHXXZXGRVRHQMY-CMPLNLGQSA-N 1 0 251.305 0.833 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc(N)cc1 ZINC001356227184 926356252 /nfs/dbraw/zinc/35/62/52/926356252.db2.gz GCCBWYGYZIVVBL-CABZTGNLSA-N 1 0 251.330 0.101 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001357497857 926550747 /nfs/dbraw/zinc/55/07/47/926550747.db2.gz GLKMXWMZAIFUKB-RBZYPMLTSA-N 1 0 296.367 0.794 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000036793790 348169908 /nfs/dbraw/zinc/16/99/08/348169908.db2.gz JTRZYGQUQWHBBL-VIFPVBQESA-N 1 0 252.314 0.967 20 10 CCCDRO COC[C@H](O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224933568 351999242 /nfs/dbraw/zinc/99/92/42/351999242.db2.gz JMSDFUCULIBWKP-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@@H](CO)C2)cc1OC ZINC000271745591 353034010 /nfs/dbraw/zinc/03/40/10/353034010.db2.gz SMYWSRMHWWJRGR-LLVKDONJSA-N 1 0 283.324 0.603 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000272893437 353104080 /nfs/dbraw/zinc/10/40/80/353104080.db2.gz ZPLYLXUBUYJHPP-LLVKDONJSA-N 1 0 294.351 0.857 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1C ZINC000364322810 357108508 /nfs/dbraw/zinc/10/85/08/357108508.db2.gz GYMYQOJXYZWGIR-QWHCGFSZSA-N 1 0 251.326 0.937 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC000294687811 199134218 /nfs/dbraw/zinc/13/42/18/199134218.db2.gz CBJNVCVHYMELHE-AWEZNQCLSA-N 1 0 250.342 0.946 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000373226889 389466883 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COc1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c(O)c1 ZINC000832178628 617255324 /nfs/dbraw/zinc/25/53/24/617255324.db2.gz UKIBARUHPUANEV-VIFPVBQESA-N 1 0 274.267 1.000 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1F ZINC000831146078 617267773 /nfs/dbraw/zinc/26/77/73/617267773.db2.gz BZWIWIVUSGQEBD-YPMHNXCESA-N 1 0 293.342 0.830 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C[NH3+])C2)cc1 ZINC000851663154 617267904 /nfs/dbraw/zinc/26/79/04/617267904.db2.gz UWHARTIGDXLTFU-VXGBXAGGSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)CC[NH3+])C2)cc1 ZINC000831748513 617268009 /nfs/dbraw/zinc/26/80/09/617268009.db2.gz DVPWLFLYPMOYPX-LBPRGKRZSA-N 1 0 277.368 0.987 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2OC)c1 ZINC000839193674 617273532 /nfs/dbraw/zinc/27/35/32/617273532.db2.gz VGUSKSSAZGKCHE-WCQYABFASA-N 1 0 253.298 0.904 20 10 CCCDRO COc1cccc(CNC(=O)NCC[NH2+]C2CC2)c1O ZINC000841929127 617298595 /nfs/dbraw/zinc/29/85/95/617298595.db2.gz GGSFGHMKQOJONG-UHFFFAOYSA-N 1 0 279.340 0.952 20 10 CCCDRO COc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1O ZINC000901128339 617299653 /nfs/dbraw/zinc/29/96/53/617299653.db2.gz XLWZTYBGPUTTKK-ABAIWWIYSA-N 1 0 294.351 0.472 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000865666361 615512254 /nfs/dbraw/zinc/51/22/54/615512254.db2.gz DYZPBWJCOKMFJT-YPMHNXCESA-N 1 0 253.298 0.640 20 10 CCCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000848900795 615682852 /nfs/dbraw/zinc/68/28/52/615682852.db2.gz JZHTWMKSHSXHSV-LBPRGKRZSA-N 1 0 289.335 0.691 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H](N)CC[NH+](C)C ZINC000846670025 615912491 /nfs/dbraw/zinc/91/24/91/615912491.db2.gz WJCZLBCZLVWFGE-LBPRGKRZSA-N 1 0 265.357 0.630 20 10 CCCDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834565611 615936872 /nfs/dbraw/zinc/93/68/72/615936872.db2.gz VORMGYDSPUTHJV-ZDUSSCGKSA-N 1 0 284.381 0.982 20 10 CCCDRO CN(C)c1ccc([C@@H](C[NH2+]CCC(N)=O)N(C)C)cc1 ZINC000905704640 616018941 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C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000828505283 616349299 /nfs/dbraw/zinc/34/92/99/616349299.db2.gz MBFRKTUGSRAZMD-CYBMUJFWSA-N 1 0 284.287 0.033 20 10 CCCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccccc2O)C1 ZINC000843434390 616478487 /nfs/dbraw/zinc/47/84/87/616478487.db2.gz KRZDHDXHOKHEQT-NEPJUHHUSA-N 1 0 265.309 0.748 20 10 CCCDRO COC[C@]1(C(=O)N(C)Cc2ccccc2O)C[NH2+]CCO1 ZINC000876605321 616846630 /nfs/dbraw/zinc/84/66/30/616846630.db2.gz LTGXXHQRSZOEIU-HNNXBMFYSA-N 1 0 294.351 0.356 20 10 CCCDRO COC(=O)c1cn(CC[NH2+]Cc2c(C)cccc2O)nn1 ZINC000877507200 616958257 /nfs/dbraw/zinc/95/82/57/616958257.db2.gz ABVQJXANOFAKHJ-UHFFFAOYSA-N 1 0 290.323 0.869 20 10 CCCDRO C[NH2+][C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843045794 617049010 /nfs/dbraw/zinc/04/90/10/617049010.db2.gz WGJTYQMMELUOGW-SNVBAGLBSA-N 1 0 250.298 0.915 20 10 CCCDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1Cc2cccc(O)c2C1 ZINC000892170312 622638018 /nfs/dbraw/zinc/63/80/18/622638018.db2.gz SQJDGCLCSCNOKV-LBPRGKRZSA-N 1 0 291.351 0.796 20 10 CCCDRO C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1O ZINC000892288520 622781335 /nfs/dbraw/zinc/78/13/35/622781335.db2.gz CHOBPPCQOJLNOB-QWRGUYRKSA-N 1 0 279.340 0.741 20 10 CCCDRO CN1CCN(Cc2cc(F)ccc2O)[C@@H](C[NH3+])C1 ZINC000234361434 624909515 /nfs/dbraw/zinc/90/95/15/624909515.db2.gz XCYFQEQHTPJAQA-LBPRGKRZSA-N 1 0 253.321 0.606 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000897058436 632383815 /nfs/dbraw/zinc/38/38/15/632383815.db2.gz OXDVKNVHNRNCRN-LLVKDONJSA-N 1 0 284.381 0.811 20 10 CCCDRO CCOc1cccc(CN2CCO[C@H](C[NH3+])C2)c1O ZINC000164681208 636879572 /nfs/dbraw/zinc/87/95/72/636879572.db2.gz KCASXIKGWYLPFB-GFCCVEGCSA-N 1 0 266.341 0.950 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1cccn1 ZINC000818997047 641371941 /nfs/dbraw/zinc/37/19/41/641371941.db2.gz QKBSTMDPHWHJQQ-CQSZACIVSA-N 1 0 273.336 0.969 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000841955590 642860713 /nfs/dbraw/zinc/86/07/13/642860713.db2.gz HNFDJEBWRQNIKO-CYBMUJFWSA-N 1 0 262.357 0.848 20 10 CCCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000843070677 642987253 /nfs/dbraw/zinc/98/72/53/642987253.db2.gz WTHYXFGBKGSZME-MRXNPFEDSA-N 1 0 291.395 0.683 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000858248909 644602751 /nfs/dbraw/zinc/60/27/51/644602751.db2.gz FKDRGTOAUOKJFH-KYZUINATSA-N 1 0 250.298 0.754 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858339177 644609527 /nfs/dbraw/zinc/60/95/27/644609527.db2.gz QUAKSYJSAAWBFM-ZDUSSCGKSA-N 1 0 250.342 0.857 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000861639450 644901446 /nfs/dbraw/zinc/90/14/46/644901446.db2.gz CLUIRLKYGRNGDD-CYBMUJFWSA-N 1 0 278.356 0.099 20 10 CCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861735295 644920442 /nfs/dbraw/zinc/92/04/42/644920442.db2.gz NLMHINXUUUEXDW-NSHDSACASA-N 1 0 292.383 0.174 20 10 CCCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000862758144 645034774 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COC[C@]12COC[C@H]1C[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014173 806005820 /nfs/dbraw/zinc/00/58/20/806005820.db2.gz WJWNWQCJFKUTRT-IAQYHMDHSA-N 1 0 295.335 0.898 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233013164 806006708 /nfs/dbraw/zinc/00/67/08/806006708.db2.gz NHQKIJZVGQLGDF-UHFFFAOYSA-N 1 0 254.286 0.371 20 10 CCCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483192 806058781 /nfs/dbraw/zinc/05/87/81/806058781.db2.gz QLIHBXBXXAHXDD-MRVPVSSYSA-N 1 0 267.281 0.798 20 10 CCCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233485999 806062766 /nfs/dbraw/zinc/06/27/66/806062766.db2.gz TXFRVHALDZMSOX-WPRPVWTQSA-N 1 0 278.308 0.371 20 10 CCCDRO Oc1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235052853 806354498 /nfs/dbraw/zinc/35/44/98/806354498.db2.gz PYMHPYSEMMSTHU-AWEZNQCLSA-N 1 0 263.341 0.235 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)c(O)cc1O ZINC001236198651 806551609 /nfs/dbraw/zinc/55/16/09/806551609.db2.gz 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SLQAQRAQADGKTB-ZWNOBZJWSA-N 1 0 253.298 0.900 20 10 CCCDRO CN(Cc1ccccc1O)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722273025 812052718 /nfs/dbraw/zinc/05/27/18/812052718.db2.gz PLFOMHMEWFGJDV-LBPRGKRZSA-N 1 0 284.381 0.906 20 10 CCCDRO Oc1cc(O)c(CCNc2cc3c(nn2)C[NH2+]C3)cc1O ZINC001168006547 814054137 /nfs/dbraw/zinc/05/41/37/814054137.db2.gz PNKXNVVVLPXORG-UHFFFAOYSA-N 1 0 288.307 0.851 20 10 CCCDRO C/C=C(\NC=[NH2+])NCCc1cc(O)c(O)cc1O ZINC001168010476 814086491 /nfs/dbraw/zinc/08/64/91/814086491.db2.gz PPMZZMXZJFLWIQ-OIXVIMQBSA-N 1 0 251.286 0.993 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(O)cccc1F ZINC001236198811 817160148 /nfs/dbraw/zinc/16/01/48/817160148.db2.gz WFDWPFCJRKTPFO-KWQFWETISA-N 1 0 268.288 0.606 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@H]1N ZINC001236348880 817277025 /nfs/dbraw/zinc/27/70/25/817277025.db2.gz NHYJRJODWYNVTA-CHWSQXEVSA-N 1 0 278.352 0.941 20 10 CCCDRO COC[C@]1(C(=O)NCc2ccccc2O)C[NH2+]CCO1 ZINC000710811011 819843371 /nfs/dbraw/zinc/84/33/71/819843371.db2.gz RLGGDRTVHVIDGT-AWEZNQCLSA-N 1 0 280.324 0.013 20 10 CCCDRO CN1C[C@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)OCC1=O ZINC001273265082 821501410 /nfs/dbraw/zinc/50/14/10/821501410.db2.gz BBSZVORNVFXAOM-HNNXBMFYSA-N 1 0 294.326 0.964 20 10 CCCDRO C[NH2+]Cc1cc(NCC(=O)c2ccc(O)c(O)c2)ncn1 ZINC001170315849 837302044 /nfs/dbraw/zinc/30/20/44/837302044.db2.gz HZPDPWLPZICCPK-UHFFFAOYSA-N 1 0 288.307 0.902 20 10 CCCDRO CN(CC(=O)N1CCCc2cc(O)c(O)cc2C1)C(N)=[NH2+] ZINC001144137861 839950610 /nfs/dbraw/zinc/95/06/10/839950610.db2.gz XMFXNOABSFUHNT-UHFFFAOYSA-N 1 0 292.339 0.198 20 10 CCCDRO C[C@@H]1CNC(=O)CN1Cc1c(O)cc(O)cc1O ZINC001144514432 840072368 /nfs/dbraw/zinc/07/23/68/840072368.db2.gz DBYVLWYGTOIBDP-SSDOTTSWSA-N 1 0 252.270 0.124 20 10 CCCDRO CCOC(=O)[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514937 840075260 /nfs/dbraw/zinc/07/52/60/840075260.db2.gz YEJRLPOITZQJNB-ZDUSSCGKSA-N 1 0 297.307 0.567 20 10 CCCDRO C[N@@H+]1CCC[C@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)C1 ZINC001186364302 844543700 /nfs/dbraw/zinc/54/37/00/844543700.db2.gz NVSFLZDJPXSNIL-NSHDSACASA-N 1 0 292.335 0.739 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1C(=O)c1cccc(O)c1O ZINC001148219247 840767266 /nfs/dbraw/zinc/76/72/66/840767266.db2.gz YLBZHKOEXLJBOI-SNVBAGLBSA-N 1 0 280.324 0.500 20 10 CCCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCn1cnnn1 ZINC000712549799 841108326 /nfs/dbraw/zinc/10/83/26/841108326.db2.gz BRMNSXDBHKVSON-UHFFFAOYSA-N 1 0 258.329 0.585 20 10 CCCDRO C[N@H+](CC(=O)NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]1O ZINC001176754859 842409607 /nfs/dbraw/zinc/40/96/07/842409607.db2.gz IEDAEUPAUXJMFS-TZMCWYRMSA-N 1 0 294.351 0.559 20 10 CCCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001178698141 842905425 /nfs/dbraw/zinc/90/54/25/842905425.db2.gz YIYXJHLTBPDAJX-NSHDSACASA-N 1 0 294.351 0.946 20 10 CCCDRO COc1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205947224 847900219 /nfs/dbraw/zinc/90/02/19/847900219.db2.gz YWTIXUIAMNJWFS-DGCLKSJQSA-N 1 0 252.314 0.295 20 10 CCCDRO CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112965 848641288 /nfs/dbraw/zinc/64/12/88/848641288.db2.gz VGUGCEOIUXNDSU-ZJUUUORDSA-N 1 0 264.325 0.939 20 10 CCCDRO C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000719336384 849307763 /nfs/dbraw/zinc/30/77/63/849307763.db2.gz IDIMAKNUHYKECJ-SCZZXKLOSA-N 1 0 250.298 0.920 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(CC(N)=O)nn2)c1 ZINC001118883871 856478210 /nfs/dbraw/zinc/47/82/10/856478210.db2.gz LUDJGWAQPWCADW-UHFFFAOYSA-N 1 0 275.312 0.067 20 10 CCCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(F)ccc1O ZINC001119977882 856945680 /nfs/dbraw/zinc/94/56/80/856945680.db2.gz UPCDQLQQDXKBRU-AWEZNQCLSA-N 1 0 284.331 0.314 20 10 CCCDRO Nc1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC001336936286 921115353 /nfs/dbraw/zinc/11/53/53/921115353.db2.gz WDCMHRFTSQWUCT-UHFFFAOYSA-N 1 0 260.341 0.820 20 10 CCCDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(O)c1O ZINC000394721270 892770669 /nfs/dbraw/zinc/77/06/69/892770669.db2.gz WNAMQIQFIKTLEO-NSHDSACASA-N 1 0 291.351 0.218 20 10 CCCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(N)=O)cc1C ZINC001329107994 915673836 /nfs/dbraw/zinc/67/38/36/915673836.db2.gz GPPVQIUXEZBMQS-WDEREUQCSA-N 1 0 293.367 0.472 20 10 CCCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753182 919743822 /nfs/dbraw/zinc/74/38/22/919743822.db2.gz BATWOHZRIHWYJA-CYBMUJFWSA-N 1 0 283.397 0.782 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC001334773961 919756865 /nfs/dbraw/zinc/75/68/65/919756865.db2.gz BHWHOLJICVOUFO-LBPRGKRZSA-N 1 0 269.370 0.522 20 10 CCCDRO COc1ccc(C[NH2+]Cc2cnnn2C)c(O)c1OC ZINC001335534664 920258980 /nfs/dbraw/zinc/25/89/80/920258980.db2.gz ZSWVOZUNYAAANG-UHFFFAOYSA-N 1 0 278.312 0.828 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC001336925324 921108748 /nfs/dbraw/zinc/10/87/48/921108748.db2.gz LFOQADQPEMPSIG-BXKDBHETSA-N 1 0 279.340 0.808 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)O)cc1 ZINC001341629449 922589640 /nfs/dbraw/zinc/58/96/40/922589640.db2.gz GHQLRFKPROPZQS-GFCCVEGCSA-N 1 0 265.357 0.467 20 10 CCCDRO Nc1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC001342022413 922768038 /nfs/dbraw/zinc/76/80/38/922768038.db2.gz OYLWPBBKAIDINB-LBPRGKRZSA-N 1 0 265.382 0.980 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1cccc(O)c1O ZINC001349079854 924880825 /nfs/dbraw/zinc/88/08/25/924880825.db2.gz UHZXILJWYPVOMB-ZYHUDNBSSA-N 1 0 291.351 0.102 20 10 CCCDRO CN(C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccc(N)cc1 ZINC001354437995 926109905 /nfs/dbraw/zinc/10/99/05/926109905.db2.gz VLVGVUYSPHASEL-JTQLQIEISA-N 1 0 288.351 0.052 20 10 CCCDRO Nc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC001356083621 926341526 /nfs/dbraw/zinc/34/15/26/926341526.db2.gz VRJAXVUWNOJLBW-NSHDSACASA-N 1 0 255.343 0.132 20 10 CCCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N)cc2)C1 ZINC001356227882 926356234 /nfs/dbraw/zinc/35/62/34/926356234.db2.gz LSPUJUPYYLKRDH-GXTWGEPZSA-N 1 0 263.341 0.652 20 10 CCCDRO CN1C(=O)C(=CNc2cc[nH+]cc2)C(=O)N(C)C1=O ZINC000048403137 348407942 /nfs/dbraw/zinc/40/79/42/348407942.db2.gz PWQOJZSTUKRFOG-UHFFFAOYSA-N 1 0 260.253 0.428 20 10 CCCDRO C[NH2+]CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000178867731 351250403 /nfs/dbraw/zinc/25/04/03/351250403.db2.gz ZTCJDVZVRXJIGZ-UHFFFAOYSA-N 1 0 281.331 0.702 20 10 CCCDRO C[C@H](O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000189838544 351704719 /nfs/dbraw/zinc/70/47/19/351704719.db2.gz VTEIUMUQBOEALW-LBPRGKRZSA-N 1 0 250.342 0.891 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000221713335 351979749 /nfs/dbraw/zinc/97/97/49/351979749.db2.gz XLQFVBICTWHUDL-UHFFFAOYSA-N 1 0 262.306 0.170 20 10 CCCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000367671439 357275754 /nfs/dbraw/zinc/27/57/54/357275754.db2.gz PILANERSKQDAGN-VIFPVBQESA-N 1 0 278.308 0.831 20 10 CCCDRO NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637979459 374523992 /nfs/dbraw/zinc/52/39/92/374523992.db2.gz SICAYJNLHQSGSB-OLZOCXBDSA-N 1 0 285.347 0.725 20 10 CCCDRO Oc1ccccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000060332782 388936305 /nfs/dbraw/zinc/93/63/05/388936305.db2.gz GOODFERUMVOZMK-CYBMUJFWSA-N 1 0 250.342 0.939 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000091863788 389025613 /nfs/dbraw/zinc/02/56/13/389025613.db2.gz ULNPHRVJFGGGPG-CQSZACIVSA-N 1 0 274.368 0.962 20 10 CCCDRO C[C@@H](CO)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298631751 389036397 /nfs/dbraw/zinc/03/63/97/389036397.db2.gz VXKLTVYGCJKMFP-LBPRGKRZSA-N 1 0 279.384 0.681 20 10 CCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000135720131 389261268 /nfs/dbraw/zinc/26/12/68/389261268.db2.gz VUVASKLOYKBUAT-LBPRGKRZSA-N 1 0 277.368 0.877 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1O ZINC000180333440 389669032 /nfs/dbraw/zinc/66/90/32/389669032.db2.gz AADYJBWVBGEPQE-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO CCCOc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(O)c1 ZINC000278299932 520351119 /nfs/dbraw/zinc/35/11/19/520351119.db2.gz DHOYTFUORPLGIB-ZIAGYGMSSA-N 1 0 267.325 0.718 20 10 CCCDRO CN1CCN(C(=O)CC[N@H+](C)Cc2ccccc2O)CC1 ZINC000275196234 522672657 /nfs/dbraw/zinc/67/26/57/522672657.db2.gz FETWUWZXSIVANK-UHFFFAOYSA-N 1 0 291.395 0.988 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1OC ZINC000274900940 522778313 /nfs/dbraw/zinc/77/83/13/522778313.db2.gz HALBRMOZXVWXFY-QWRGUYRKSA-N 1 0 283.324 0.337 20 10 CCCDRO CN1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCC1=O ZINC000084061317 524012864 /nfs/dbraw/zinc/01/28/64/524012864.db2.gz VFJIZNXPKJMVGK-JTQLQIEISA-N 1 0 278.308 0.831 20 10 CCCDRO COc1ccc(N2CC[NH+](CCO)CC2)cc1F ZINC000084866963 524426558 /nfs/dbraw/zinc/42/65/58/524426558.db2.gz GGRSHIBPQLJVSN-UHFFFAOYSA-N 1 0 254.305 0.949 20 10 CCCDRO O=C1NC(=S)NC(=O)C1=CNNc1cc(Cl)cc[nH+]1 ZINC000777870367 581137982 /nfs/dbraw/zinc/13/79/82/581137982.db2.gz RTRNMXZMRQZOJM-UHFFFAOYSA-N 1 0 297.727 0.066 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1OC ZINC000792713633 581268925 /nfs/dbraw/zinc/26/89/25/581268925.db2.gz MVACLQNZTRORKX-YUELXQCFSA-N 1 0 295.335 0.664 20 10 CCCDRO COc1ccc(CNc2cc[nH+]cc2C(N)=O)c(O)c1 ZINC000795290125 581402909 /nfs/dbraw/zinc/40/29/09/581402909.db2.gz QQVJTFDFNLGPTK-UHFFFAOYSA-N 1 0 273.292 0.929 20 10 CCCDRO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000785986822 581426436 /nfs/dbraw/zinc/42/64/36/581426436.db2.gz YTJNITIBUFZXBS-JTQLQIEISA-N 1 0 256.327 0.255 20 10 CCCDRO CCNC(=O)CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000775649837 582033188 /nfs/dbraw/zinc/03/31/88/582033188.db2.gz SWDILOQEFFHQKI-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H](C)C(=O)N(C)OC)cc1OC ZINC000862542248 617207830 /nfs/dbraw/zinc/20/78/30/617207830.db2.gz JWACYNMJBJMFRW-SECBINFHSA-N 1 0 298.339 0.907 20 10 CCCDRO COc1ccc(CNC(=O)COC2(C)C[NH2+]C2)c(O)c1 ZINC000843499101 617253417 /nfs/dbraw/zinc/25/34/17/617253417.db2.gz DICFXWVHQORPRE-UHFFFAOYSA-N 1 0 280.324 0.396 20 10 CCCDRO COc1ccc(CNC(=O)NCC[NH2+]C2CC2)c(O)c1 ZINC000841928571 617254669 /nfs/dbraw/zinc/25/46/69/617254669.db2.gz OHNLZFFJUDVELN-UHFFFAOYSA-N 1 0 279.340 0.952 20 10 CCCDRO COc1ccc(C[NH2+]CCS(C)(=O)=O)c(O)c1OC ZINC000892688991 617257767 /nfs/dbraw/zinc/25/77/67/617257767.db2.gz DNGRSUXSBUBRLD-UHFFFAOYSA-N 1 0 289.353 0.544 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[NH3+])cc1 ZINC000846697175 617267164 /nfs/dbraw/zinc/26/71/64/617267164.db2.gz LYZYGXRPPMKPJI-LLVKDONJSA-N 1 0 265.357 0.937 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C[NH3+])OC)cc1 ZINC000884385986 617267180 /nfs/dbraw/zinc/26/71/80/617267180.db2.gz AYQIEYQKRFUJQY-AWEZNQCLSA-N 1 0 295.383 0.564 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000877228140 617267607 /nfs/dbraw/zinc/26/76/07/617267607.db2.gz UUWFDUPJACBJOD-NSHDSACASA-N 1 0 293.367 0.700 20 10 CCCDRO COc1ccc(N2CCN(CC[NH2+]C[C@H](C)O)CC2)cc1 ZINC000818982669 617267767 /nfs/dbraw/zinc/26/77/67/617267767.db2.gz PYWDLBUYPIGIEJ-AWEZNQCLSA-N 1 0 293.411 0.788 20 10 CCCDRO COc1cccc(O)c1CNCC1([NH3+])CCOCC1 ZINC000863481581 617305420 /nfs/dbraw/zinc/30/54/20/617305420.db2.gz JKKFFGXUFIXIHJ-UHFFFAOYSA-N 1 0 266.341 0.998 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1O ZINC000846170687 617307531 /nfs/dbraw/zinc/30/75/31/617307531.db2.gz YSIQLXXSDJOJHN-MNOVXSKESA-N 1 0 292.339 0.704 20 10 CCCDRO CC(C)OC[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877074830 614033694 /nfs/dbraw/zinc/03/36/94/614033694.db2.gz SZJRMZQUOSLVOD-LBPRGKRZSA-N 1 0 251.330 0.984 20 10 CCCDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000843367995 614249392 /nfs/dbraw/zinc/24/93/92/614249392.db2.gz MSPOKZWPALAKGK-LBPRGKRZSA-N 1 0 282.315 0.893 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH3+] ZINC000842222670 614586342 /nfs/dbraw/zinc/58/63/42/614586342.db2.gz PFIDWPHLBKMZOR-UHFFFAOYSA-N 1 0 279.340 0.206 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@H]2CNCCO2)c(O)c1 ZINC000841099260 615511053 /nfs/dbraw/zinc/51/10/53/615511053.db2.gz NWCOIIAOKIBRNK-CYBMUJFWSA-N 1 0 266.341 0.869 20 10 CCCDRO CCOc1ccc(O)c(CN2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000843120617 615512222 /nfs/dbraw/zinc/51/22/22/615512222.db2.gz RNBYURQZETYIEV-ZDUSSCGKSA-N 1 0 279.384 0.866 20 10 CCCDRO C[NH+](C)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854465054 615937891 /nfs/dbraw/zinc/93/78/91/615937891.db2.gz NZHSPRFJUVPWRA-DUMNWFOQSA-N 1 0 280.324 0.150 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000808751105 616014522 /nfs/dbraw/zinc/01/45/22/616014522.db2.gz RERWXMMXUDJYRH-HIFRSBDPSA-N 1 0 264.369 0.928 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000843299731 616019666 /nfs/dbraw/zinc/01/96/66/616019666.db2.gz WOIWJKWCNYBBPO-CHWSQXEVSA-N 1 0 290.367 0.147 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2nc[nH]n2)cc1 ZINC000876507172 616019667 /nfs/dbraw/zinc/01/96/67/616019667.db2.gz XFKJDVTZKOLNBI-GFCCVEGCSA-N 1 0 288.355 0.229 20 10 CCCDRO C[NH+]1CCC(OCC(=O)NCc2ccc(N)cc2)CC1 ZINC000927767494 616175457 /nfs/dbraw/zinc/17/54/57/616175457.db2.gz FAZPACNLNHFSQC-UHFFFAOYSA-N 1 0 277.368 0.996 20 10 CCCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843435187 616478029 /nfs/dbraw/zinc/47/80/29/616478029.db2.gz QWQAOWQTMIGCHE-PWSUYJOCSA-N 1 0 283.299 0.887 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cccc(C)c1O ZINC000877706217 616597833 /nfs/dbraw/zinc/59/78/33/616597833.db2.gz HYLMVPYFWPODEO-UHFFFAOYSA-N 1 0 266.297 0.079 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cccc(OC)c1O ZINC000865706962 617012414 /nfs/dbraw/zinc/01/24/14/617012414.db2.gz LKXJPRRWVHUICG-UHFFFAOYSA-N 1 0 288.369 0.430 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1c(C)cccc1O ZINC000877688887 617012633 /nfs/dbraw/zinc/01/26/33/617012633.db2.gz IVKISZKSMFQUPL-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938463 617021666 /nfs/dbraw/zinc/02/16/66/617021666.db2.gz FRAUDRYDJCCNJZ-UHFFFAOYSA-N 1 0 292.788 0.993 20 10 CCCDRO COc1c([O-])c(C[NH2+]CCOCCC[NH3+])ccc1[N+](=O)[O-] ZINC000863650515 617149205 /nfs/dbraw/zinc/14/92/05/617149205.db2.gz UMMUCZTUSKRFES-UHFFFAOYSA-N 1 0 299.327 0.764 20 10 CCCDRO COc1c(O)c(C[NH+](CCO)CCO)ccc1[N+](=O)[O-] ZINC000862430229 617149312 /nfs/dbraw/zinc/14/93/12/617149312.db2.gz RDOHHLLRYLOVKT-UHFFFAOYSA-N 1 0 286.284 0.096 20 10 CCCDRO CCOc1ccc(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278443807 623164638 /nfs/dbraw/zinc/16/46/38/623164638.db2.gz WLEGHOIVCLMMLD-STQMWFEESA-N 1 0 253.298 0.328 20 10 CCCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCNC1=O ZINC000897873004 633249860 /nfs/dbraw/zinc/24/98/60/633249860.db2.gz LLKLELIFDKIVRX-MRXNPFEDSA-N 1 0 289.379 0.891 20 10 CCCDRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(F)ccc1O ZINC000927021236 633577556 /nfs/dbraw/zinc/57/75/56/633577556.db2.gz BJZYIDWYUFNSMA-PSASIEDQSA-N 1 0 291.344 0.587 20 10 CCCDRO C[C@@]1(C(=O)NCCc2ccc(N)cc2)C[C@H](O)C[NH2+]1 ZINC000911783246 636377751 /nfs/dbraw/zinc/37/77/51/636377751.db2.gz SBMYJDXUILOJJX-JSGCOSHPSA-N 1 0 263.341 0.040 20 10 CCCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)NS(C)(=O)=O ZINC000226602442 636989436 /nfs/dbraw/zinc/98/94/36/636989436.db2.gz WHZUXLJYBPJEGU-UHFFFAOYSA-N 1 0 290.360 0.949 20 10 CCCDRO C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CN1CCO ZINC000841456073 638851403 /nfs/dbraw/zinc/85/14/03/638851403.db2.gz CSRXYTCHRQHRKS-QWRGUYRKSA-N 1 0 294.351 0.625 20 10 CCCDRO C[C@](O)(CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922080553 639481122 /nfs/dbraw/zinc/48/11/22/639481122.db2.gz DWRQJYZQJZGDLB-CQSZACIVSA-N 1 0 251.326 0.845 20 10 CCCDRO OC[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000839159643 640307011 /nfs/dbraw/zinc/30/70/11/640307011.db2.gz OEDSUSOLJRAYAB-CYBMUJFWSA-N 1 0 255.289 0.851 20 10 CCCDRO Nc1ccc(CC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000832002344 642427863 /nfs/dbraw/zinc/42/78/63/642427863.db2.gz ICNRKHSIWAVEDB-UHFFFAOYSA-N 1 0 277.368 0.650 20 10 CCCDRO Nc1ccc(CCNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000832659295 642509980 /nfs/dbraw/zinc/50/99/80/642509980.db2.gz YPCKEAHLLROSJH-CYBMUJFWSA-N 1 0 263.341 0.306 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[NH3+] ZINC000841827029 642840168 /nfs/dbraw/zinc/84/01/68/642840168.db2.gz JKFSWLAFRCDGPJ-UHFFFAOYSA-N 1 0 250.346 0.819 20 10 CCCDRO O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000843066072 642985517 /nfs/dbraw/zinc/98/55/17/642985517.db2.gz RZCZJRWAPYCLLB-AWEZNQCLSA-N 1 0 289.379 0.788 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c(O)c1 ZINC000843500466 643085278 /nfs/dbraw/zinc/08/52/78/643085278.db2.gz UZWMNYWZEMWVJG-JLLWLGSASA-N 1 0 262.309 0.767 20 10 CCCDRO O=C(c1c(F)ccc(O)c1O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848391197 643631840 /nfs/dbraw/zinc/63/18/40/643631840.db2.gz ZJTZKHPUJQTZNA-DTWKUNHWSA-N 1 0 296.298 0.128 20 10 CCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868642 644033483 /nfs/dbraw/zinc/03/34/83/644033483.db2.gz KUPYYOFHJCHXSQ-NSHDSACASA-N 1 0 277.368 0.611 20 10 CCCDRO Oc1ccccc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862436769 645000296 /nfs/dbraw/zinc/00/02/96/645000296.db2.gz KKMCWVBVGJYKRC-UHFFFAOYSA-N 1 0 271.324 0.899 20 10 CCCDRO C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccccc1O ZINC000870988695 646074196 /nfs/dbraw/zinc/07/41/96/646074196.db2.gz XETUMKDMVMWKAA-PWSUYJOCSA-N 1 0 265.357 0.848 20 10 CCCDRO O=C1OC[C@@]2(C[NH2+]Cc3cc(F)ccc3O)COCCN12 ZINC000872262996 646232009 /nfs/dbraw/zinc/23/20/09/646232009.db2.gz TUJMTGZYGVGQIM-CQSZACIVSA-N 1 0 296.298 0.842 20 10 CCCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000876522259 646618584 /nfs/dbraw/zinc/61/85/84/646618584.db2.gz MEPXZCRBCIBFJX-JTQLQIEISA-N 1 0 255.339 0.977 20 10 CCCDRO O=C(NCc1ccccc1O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876877733 646689072 /nfs/dbraw/zinc/68/90/72/646689072.db2.gz FXBWZDIMGSBDIM-ZYHUDNBSSA-N 1 0 252.289 0.956 20 10 CCCDRO [O-]c1c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc(F)c1F ZINC000877611817 646828236 /nfs/dbraw/zinc/82/82/36/646828236.db2.gz AWPAZYFQDKXAJB-LLVKDONJSA-N 1 0 284.306 0.921 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000877658846 646832320 /nfs/dbraw/zinc/83/23/20/646832320.db2.gz YQAIHCWOGNWYGF-NSHDSACASA-N 1 0 264.325 0.777 20 10 CCCDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883135785 647494530 /nfs/dbraw/zinc/49/45/30/647494530.db2.gz 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0.451 20 10 CCCDRO C[NH+](C)C1(CNC(=O)c2cccc(O)c2O)CC1 ZINC000397804750 854448051 /nfs/dbraw/zinc/44/80/51/854448051.db2.gz WMUUZAMBPLQEJE-UHFFFAOYSA-N 1 0 250.298 0.922 20 10 CCCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)CO)CC2)cc1 ZINC001119689975 856838197 /nfs/dbraw/zinc/83/81/97/856838197.db2.gz KIEMGHLBPLBJGY-CQSZACIVSA-N 1 0 280.368 0.561 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1OC ZINC001120040334 856967829 /nfs/dbraw/zinc/96/78/29/856967829.db2.gz WQYZOSDXMVOOFS-QWRGUYRKSA-N 1 0 283.324 0.337 20 10 CCCDRO COCC[NH2+]CCNC(=O)NCc1ccc(N)cc1 ZINC001346480023 891496274 /nfs/dbraw/zinc/49/62/74/891496274.db2.gz ZQFCYDJEBFJSBT-UHFFFAOYSA-N 1 0 266.345 0.304 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000697290676 894316168 /nfs/dbraw/zinc/31/61/68/894316168.db2.gz SEQABMQLIMKKCD-DGCLKSJQSA-N 1 0 285.365 0.602 20 10 CCCDRO CN1CCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112386 900995960 /nfs/dbraw/zinc/99/59/60/900995960.db2.gz DCCXOQSIGCCBJB-UHFFFAOYSA-N 1 0 250.298 0.693 20 10 CCCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC001308811152 908434727 /nfs/dbraw/zinc/43/47/27/908434727.db2.gz VUDGYDBEDOJCNM-NSHDSACASA-N 1 0 282.731 0.788 20 10 CCCDRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001331221300 917190408 /nfs/dbraw/zinc/19/04/08/917190408.db2.gz PXNUQQCXYSHEMG-HOMQSWHASA-N 1 0 289.335 0.088 20 10 CCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332317641 918047496 /nfs/dbraw/zinc/04/74/96/918047496.db2.gz ZQRFFUNLAUAWOK-VIFPVBQESA-N 1 0 277.324 0.088 20 10 CCCDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N)cc1 ZINC001335727114 920401216 /nfs/dbraw/zinc/40/12/16/920401216.db2.gz ZMEWCNOHVOOMFL-ZDUSSCGKSA-N 1 0 278.356 0.399 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001339973935 921899062 /nfs/dbraw/zinc/89/90/62/921899062.db2.gz JRWPXGRDRGOZMP-FZMZJTMJSA-N 1 0 264.325 0.464 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@@]1(F)CC[NH2+]C1 ZINC001342612851 923019319 /nfs/dbraw/zinc/01/93/19/923019319.db2.gz 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353053406 /nfs/dbraw/zinc/05/34/06/353053406.db2.gz KJMDVOJLXZUOSV-LLVKDONJSA-N 1 0 294.351 0.682 20 10 CCCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000289224474 353687632 /nfs/dbraw/zinc/68/76/32/353687632.db2.gz CQNFMICDPKNUAU-TZMCWYRMSA-N 1 0 267.325 0.982 20 10 CCCDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)N1 ZINC000193468965 389070509 /nfs/dbraw/zinc/07/05/09/389070509.db2.gz NGZXNWAHGUWSKI-AWEZNQCLSA-N 1 0 275.308 0.566 20 10 CCCDRO COC[C@H](CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000224844076 389145044 /nfs/dbraw/zinc/14/50/44/389145044.db2.gz KMHLWQJOZBGARQ-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000238061416 389198806 /nfs/dbraw/zinc/19/88/06/389198806.db2.gz BOSNHKNFUZUWAJ-AWEZNQCLSA-N 1 0 289.379 0.749 20 10 CCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132915209 389228714 /nfs/dbraw/zinc/22/87/14/389228714.db2.gz VJYQDLHMWDBMOA-SNVBAGLBSA-N 1 0 281.331 0.626 20 10 CCCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cccc(OC)c1O ZINC000372638910 389454923 /nfs/dbraw/zinc/45/49/23/389454923.db2.gz KWLHAYMEYHAIPL-WCQYABFASA-N 1 0 295.335 0.899 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529373307 390821736 /nfs/dbraw/zinc/82/17/36/390821736.db2.gz ILJMMHIYXKOBIL-GFCCVEGCSA-N 1 0 279.340 0.522 20 10 CCCDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)N2CCOCC2)c1 ZINC000162353016 261278833 /nfs/dbraw/zinc/27/88/33/261278833.db2.gz DTBLVTQSYUPEOD-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000187188301 262391750 /nfs/dbraw/zinc/39/17/50/262391750.db2.gz NONFSIAUXSWIRB-NSHDSACASA-N 1 0 285.413 0.952 20 10 CCCDRO OCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000227213828 333278115 /nfs/dbraw/zinc/27/81/15/333278115.db2.gz UKZSXLKYTQRALL-UHFFFAOYSA-N 1 0 281.308 0.752 20 10 CCCDRO CO[C@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000289467261 523931245 /nfs/dbraw/zinc/93/12/45/523931245.db2.gz ALVRPDTYBBQZBE-CQSZACIVSA-N 1 0 277.368 0.877 20 10 CCCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000777483225 581116648 /nfs/dbraw/zinc/11/66/48/581116648.db2.gz ITIMFSFAYQNGGO-CQSZACIVSA-N 1 0 285.340 0.896 20 10 CCCDRO CCOc1ccc(C[NH2+][C@H](CO)COC)c(O)c1 ZINC000793325781 581290139 /nfs/dbraw/zinc/29/01/39/581290139.db2.gz UUVPPDGGLUCFOC-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000728565292 581364700 /nfs/dbraw/zinc/36/47/00/581364700.db2.gz SGUXJLOFWUQEHR-ZDUSSCGKSA-N 1 0 295.291 0.495 20 10 CCCDRO COc1ccc(O)c(CNC(=S)NCC[NH+](C)C)c1 ZINC000733906341 581529991 /nfs/dbraw/zinc/52/99/91/581529991.db2.gz KPJVGRJSNDNCTR-UHFFFAOYSA-N 1 0 283.397 0.927 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000754843268 581612436 /nfs/dbraw/zinc/61/24/36/581612436.db2.gz PRKDYGHERVZXRV-ZDUSSCGKSA-N 1 0 253.298 0.642 20 10 CCCDRO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000769564121 581696208 /nfs/dbraw/zinc/69/62/08/581696208.db2.gz KSMIDUXXYFEXAD-TXEJJXNPSA-N 1 0 267.325 0.718 20 10 CCCDRO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1C ZINC000769564280 581696266 /nfs/dbraw/zinc/69/62/66/581696266.db2.gz OMXOTPBLFRJTDS-BETUJISGSA-N 1 0 251.326 0.937 20 10 CCCDRO CN1C(=O)C(=CNNc2ccc(F)c[nH+]2)C(=O)N(C)C1=O ZINC000731371812 581765683 /nfs/dbraw/zinc/76/56/83/581765683.db2.gz NLXQAWOQBRHPOD-UHFFFAOYSA-N 1 0 293.258 0.072 20 10 CCCDRO CCNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775050466 582010179 /nfs/dbraw/zinc/01/01/79/582010179.db2.gz IRMHRLRCRCCFEG-UHFFFAOYSA-N 1 0 283.284 0.535 20 10 CCCDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775369130 582021309 /nfs/dbraw/zinc/02/13/09/582021309.db2.gz KNQUGLQLNDBOLS-BDAKNGLRSA-N 1 0 295.339 0.896 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000775829928 582041804 /nfs/dbraw/zinc/04/18/04/582041804.db2.gz AXZYIEFKYRMTEL-LLVKDONJSA-N 1 0 290.367 0.955 20 10 CCCDRO COc1cc(O)c(C[NH2+]CCCON)cc1OC ZINC000904457243 617207867 /nfs/dbraw/zinc/20/78/67/617207867.db2.gz QITWFZDRZZNWAV-UHFFFAOYSA-N 1 0 256.302 0.779 20 10 CCCDRO COc1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000832178869 617253862 /nfs/dbraw/zinc/25/38/62/617253862.db2.gz YNHSCXDYTIDWQM-LBPRGKRZSA-N 1 0 280.324 0.396 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)c(O)c1 ZINC000832177586 617256377 /nfs/dbraw/zinc/25/63/77/617256377.db2.gz BEUCPZZOWSNIAU-LLVKDONJSA-N 1 0 250.298 0.769 20 10 CCCDRO COc1cccc(C[N@@H+]2CCN(CCO)C[C@@H]2C)c1O ZINC000825338651 617297401 /nfs/dbraw/zinc/29/74/01/617297401.db2.gz SKXYPKFLUHPLAS-LBPRGKRZSA-N 1 0 280.368 0.899 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCN1CCNC1=O ZINC000886324212 617305159 /nfs/dbraw/zinc/30/51/59/617305159.db2.gz CKEAMQQRUPGXTC-UHFFFAOYSA-N 1 0 265.313 0.516 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1O ZINC000846163157 617307508 /nfs/dbraw/zinc/30/75/08/617307508.db2.gz LDKDOJIEJZRHPC-SECBINFHSA-N 1 0 293.323 0.603 20 10 CCCDRO CCOc1ccc(CN(CC[NH3+])CCO)c(O)c1 ZINC000841059208 615510010 /nfs/dbraw/zinc/51/00/10/615510010.db2.gz NBUJPCFFNPRYFE-UHFFFAOYSA-N 1 0 254.330 0.544 20 10 CCCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000130346584 615522747 /nfs/dbraw/zinc/52/27/47/615522747.db2.gz BCOZDVXMTYEIMG-CQSZACIVSA-N 1 0 277.368 0.877 20 10 CCCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000848904549 615683035 /nfs/dbraw/zinc/68/30/35/615683035.db2.gz XDIYUOYIOPLTCY-STQMWFEESA-N 1 0 251.326 0.882 20 10 CCCDRO CN(C(=O)[C@@]1(C[NH3+])CCCOC1)c1ccc(N)cc1 ZINC000877074869 615871595 /nfs/dbraw/zinc/87/15/95/615871595.db2.gz ULPFXEWCEIXPSP-CQSZACIVSA-N 1 0 263.341 0.987 20 10 CCCDRO C[NH+](C)CCCS(=O)(=O)NCc1c(O)cccc1F ZINC000921451691 615886154 /nfs/dbraw/zinc/88/61/54/615886154.db2.gz UTFMUWGCTCCSFL-UHFFFAOYSA-N 1 0 290.360 0.902 20 10 CCCDRO C[NH+](C)C[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854465057 615937911 /nfs/dbraw/zinc/93/79/11/615937911.db2.gz NZHSPRFJUVPWRA-VLWUPBBWSA-N 1 0 280.324 0.150 20 10 CCCDRO CC[S@](=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134735241 616016736 /nfs/dbraw/zinc/01/67/36/616016736.db2.gz GEEYZXPDOZHBGH-GOSISDBHSA-N 1 0 271.338 0.979 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cncn2C)cc1 ZINC000832282466 616019670 /nfs/dbraw/zinc/01/96/70/616019670.db2.gz ZQPRDKQOQKXEIO-CYBMUJFWSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(N)CC2(F)F)cc1 ZINC000870932957 616019742 /nfs/dbraw/zinc/01/97/42/616019742.db2.gz MSWDUOIUMJZJRR-YPMHNXCESA-N 1 0 298.337 0.605 20 10 CCCDRO C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(Cl)c1[O-] ZINC000843044600 616044334 /nfs/dbraw/zinc/04/43/34/616044334.db2.gz LCFGQEJNBSMAMZ-UHFFFAOYSA-N 1 0 297.786 0.909 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726878 616316857 /nfs/dbraw/zinc/31/68/57/616316857.db2.gz YTPDSDULWHXXFI-NHYWBVRUSA-N 1 0 276.336 0.690 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cccc(F)c1O ZINC000843124142 616399248 /nfs/dbraw/zinc/39/92/48/616399248.db2.gz VIPRAFLUSCEJNJ-LBPRGKRZSA-N 1 0 282.315 0.868 20 10 CCCDRO CNC(=O)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284879 616558593 /nfs/dbraw/zinc/55/85/93/616558593.db2.gz NRPVCMSDRNPLQB-LBPRGKRZSA-N 1 0 278.356 0.005 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1c(C)cccc1O ZINC000877706981 616597486 /nfs/dbraw/zinc/59/74/86/616597486.db2.gz WKAATHBRWIHCIX-UHFFFAOYSA-N 1 0 266.297 0.079 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000884309877 616678590 /nfs/dbraw/zinc/67/85/90/616678590.db2.gz IAEJWSAEBIMWPT-CABZTGNLSA-N 1 0 282.340 0.942 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895708140 616785836 /nfs/dbraw/zinc/78/58/36/616785836.db2.gz PUDPFEYUZBZYQZ-AWEZNQCLSA-N 1 0 295.291 0.231 20 10 CCCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000817414746 616826953 /nfs/dbraw/zinc/82/69/53/616826953.db2.gz JOBNLNZZRLHXMN-SNVBAGLBSA-N 1 0 264.325 0.969 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CNCCO2)c1 ZINC000817981978 616918522 /nfs/dbraw/zinc/91/85/22/616918522.db2.gz AKPPKWYACMJAPP-ZYHUDNBSSA-N 1 0 294.351 0.818 20 10 CCCDRO C[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842202161 616959173 /nfs/dbraw/zinc/95/91/73/616959173.db2.gz DUQAPJRCQKHFBZ-LLVKDONJSA-N 1 0 292.383 0.265 20 10 CCCDRO C[NH2+]CCOCCNC(=O)NCc1cccc(OC)c1O ZINC000861678114 616967217 /nfs/dbraw/zinc/96/72/17/616967217.db2.gz QKBOJLFKPKZSOG-UHFFFAOYSA-N 1 0 297.355 0.436 20 10 CCCDRO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccccc1O ZINC000891972179 625012680 /nfs/dbraw/zinc/01/26/80/625012680.db2.gz ARXWMAUAEBGKAO-GFCCVEGCSA-N 1 0 292.383 0.658 20 10 CCCDRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccccc1O ZINC000903279105 634549836 /nfs/dbraw/zinc/54/98/36/634549836.db2.gz ILKOIXJSVAKBTF-SWLSCSKDSA-N 1 0 280.368 0.736 20 10 CCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccccc1O ZINC000903967205 634701390 /nfs/dbraw/zinc/70/13/90/634701390.db2.gz ANMAHHZMGROYIM-GFCCVEGCSA-N 1 0 284.381 0.259 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895371324 632071130 /nfs/dbraw/zinc/07/11/30/632071130.db2.gz PBODHVWTLDOTBP-KGLIPLIRSA-N 1 0 277.368 0.482 20 10 CCCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCNC1=O ZINC000897873000 633249397 /nfs/dbraw/zinc/24/93/97/633249397.db2.gz LLKLELIFDKIVRX-INIZCTEOSA-N 1 0 289.379 0.891 20 10 CCCDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCNC1=O ZINC000897872367 633249442 /nfs/dbraw/zinc/24/94/42/633249442.db2.gz SWRONBGSYBBLNN-CYBMUJFWSA-N 1 0 264.281 0.489 20 10 CCCDRO O=C(NCc1ccc(O)cc1O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000910944918 635863585 /nfs/dbraw/zinc/86/35/85/635863585.db2.gz ZBLXNCKMHWEXIG-GFCCVEGCSA-N 1 0 292.335 0.435 20 10 CCCDRO COCC[NH2+]CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000166478083 636927490 /nfs/dbraw/zinc/92/74/90/636927490.db2.gz OOCGWUFRHMUJLS-UHFFFAOYSA-N 1 0 291.395 0.921 20 10 CCCDRO Nc1ccc(CCNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000238125744 638264425 /nfs/dbraw/zinc/26/44/25/638264425.db2.gz XNMUFZKMNOMSMC-CQSZACIVSA-N 1 0 277.368 0.696 20 10 CCCDRO Cc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)ccc1N(C)C ZINC000815075605 641089521 /nfs/dbraw/zinc/08/95/21/641089521.db2.gz HNFNZUMALFMCRK-CYBMUJFWSA-N 1 0 297.424 0.924 20 10 CCCDRO Cc1cc(CN2CCN(C(=O)CO)CC2)ccc1N(C)C ZINC000815075493 641089818 /nfs/dbraw/zinc/08/98/18/641089818.db2.gz DHXWXKSUWUJKIR-UHFFFAOYSA-N 1 0 291.395 0.698 20 10 CCCDRO [NH3+]CCCn1cc(C(=O)NCc2ccccc2O)nn1 ZINC000828015938 642058692 /nfs/dbraw/zinc/05/86/92/642058692.db2.gz PORUOGWXRMCQDW-UHFFFAOYSA-N 1 0 275.312 0.263 20 10 CCCDRO Cc1cc(C[NH2+][C@@]2(C(N)=O)CCOC2)ccc1N(C)C ZINC000847053057 643485006 /nfs/dbraw/zinc/48/50/06/643485006.db2.gz IZEQXLCVHSPFAJ-HNNXBMFYSA-N 1 0 277.368 0.795 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000858298367 644605684 /nfs/dbraw/zinc/60/56/84/644605684.db2.gz QUAKSYJSAAWBFM-CYBMUJFWSA-N 1 0 250.342 0.857 20 10 CCCDRO Nc1ccc(CCNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000861641473 644902391 /nfs/dbraw/zinc/90/23/91/644902391.db2.gz SRMIEWHFTRZKPC-UHFFFAOYSA-N 1 0 292.383 0.618 20 10 CCCDRO [NH3+]CCCOCCNC(=O)NCc1ccccc1O ZINC000861691831 644909983 /nfs/dbraw/zinc/90/99/83/644909983.db2.gz OZDAISHDQBVILI-UHFFFAOYSA-N 1 0 267.329 0.557 20 10 CCCDRO Cc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000862531258 645004374 /nfs/dbraw/zinc/00/43/74/645004374.db2.gz FGXNGWWBODRMJW-CYBMUJFWSA-N 1 0 250.342 0.857 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN1CC[NH2+]CC1 ZINC000019726890 646334957 /nfs/dbraw/zinc/33/49/57/646334957.db2.gz GQWDXFCXEQIGFS-UHFFFAOYSA-N 1 0 261.369 0.928 20 10 CCCDRO Cc1ccc(C[N@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC000876540737 646623058 /nfs/dbraw/zinc/62/30/58/646623058.db2.gz NLZSSJBBJYOXFV-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO Cc1ccc(C[NH2+]CCOCCS(C)(=O)=O)c(O)c1 ZINC000877045280 646722146 /nfs/dbraw/zinc/72/21/46/646722146.db2.gz UTLSKNCKUVKNIF-UHFFFAOYSA-N 1 0 287.381 0.851 20 10 CCCDRO OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877461471 646817579 /nfs/dbraw/zinc/81/75/79/646817579.db2.gz ARXNDHRZQVVZKQ-OAHLLOKOSA-N 1 0 280.368 0.091 20 10 CCCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719460 646836510 /nfs/dbraw/zinc/83/65/10/646836510.db2.gz CJBRRFDJUSWOCY-TXEJJXNPSA-N 1 0 274.320 0.747 20 10 CCCDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccc(O)c1O ZINC000879994438 647141886 /nfs/dbraw/zinc/14/18/86/647141886.db2.gz FOXSMXNUJDMVMO-SNVBAGLBSA-N 1 0 280.324 0.284 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1C[NH2+]CCOC1 ZINC000925505174 648439661 /nfs/dbraw/zinc/43/96/61/648439661.db2.gz RNEXFSDQLJDPQX-OAHLLOKOSA-N 1 0 291.395 0.601 20 10 CCCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1 ZINC000090024563 649666581 /nfs/dbraw/zinc/66/65/81/649666581.db2.gz QMJAFPQTXDCKOD-NSHDSACASA-N 1 0 262.309 0.938 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001231590700 805820652 /nfs/dbraw/zinc/82/06/52/805820652.db2.gz FIWCLZSBQQWASW-OLZOCXBDSA-N 1 0 251.326 0.876 20 10 CCCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)cc1O ZINC001231633093 805821324 /nfs/dbraw/zinc/82/13/24/805821324.db2.gz NYMRUFQFQBWACS-SECBINFHSA-N 1 0 280.324 0.804 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1O ZINC001233482947 806059195 /nfs/dbraw/zinc/05/91/95/806059195.db2.gz IMWIXWMDCKSDPE-KBPBESRZSA-N 1 0 283.324 0.369 20 10 CCCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487122 806064564 /nfs/dbraw/zinc/06/45/64/806064564.db2.gz QWBBJSPPSRSKFI-JTQLQIEISA-N 1 0 295.339 0.697 20 10 CCCDRO Cc1cccc(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234986185 806331367 /nfs/dbraw/zinc/33/13/67/806331367.db2.gz BUHRGHVEZLFBIQ-OAHLLOKOSA-N 1 0 261.369 0.838 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(C)ccc(C)c1O ZINC001236055213 806537947 /nfs/dbraw/zinc/53/79/47/806537947.db2.gz LGGDTVZXGKXQEB-ZDUSSCGKSA-N 1 0 278.352 0.956 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccccc2O)C[C@H]1[NH3+] ZINC001236337962 806568392 /nfs/dbraw/zinc/56/83/92/806568392.db2.gz CGVXIKISNQRFMC-WDEREUQCSA-N 1 0 250.298 0.324 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1[NH3+] ZINC001236343390 806572872 /nfs/dbraw/zinc/57/28/72/806572872.db2.gz PITYZNSUZXZWEY-VHSXEESVSA-N 1 0 266.297 0.030 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(C)c2O)C[C@@H]1[NH3+] ZINC001236351209 806581906 /nfs/dbraw/zinc/58/19/06/806581906.db2.gz KKRVDDIEMYUDHW-NEPJUHHUSA-N 1 0 264.325 0.633 20 10 CCCDRO COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001236807646 806612841 /nfs/dbraw/zinc/61/28/41/806612841.db2.gz HLGHGPBHANVWBH-QMTHXVAHSA-N 1 0 267.325 0.494 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c(O)c(OC)c1 ZINC001237674397 806708201 /nfs/dbraw/zinc/70/82/01/806708201.db2.gz GAUQEFYFQRHIAL-SNVBAGLBSA-N 1 0 253.298 0.976 20 10 CCCDRO COc1cc(CN2CCNC(=O)CC2)c(O)c(OC)c1 ZINC001237674419 806708976 /nfs/dbraw/zinc/70/89/76/806708976.db2.gz GVQKQIMHEVOJLZ-UHFFFAOYSA-N 1 0 280.324 0.731 20 10 CCCDRO Nc1ccc(CC(=O)N2CCC[C@H]([NH2+]CCO)C2)cc1 ZINC001122173332 799161384 /nfs/dbraw/zinc/16/13/84/799161384.db2.gz IQWYPGTXNCVAOA-AWEZNQCLSA-N 1 0 277.368 0.384 20 10 CCCDRO C[C@H](CN1CCOCC1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001122615138 799275215 /nfs/dbraw/zinc/27/52/15/799275215.db2.gz JDVIEEAQQZXCLU-CYBMUJFWSA-N 1 0 291.395 0.990 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1Cc2cccc(O)c2C1 ZINC001123947595 799513279 /nfs/dbraw/zinc/51/32/79/799513279.db2.gz UONCCYJOLIYUGB-SMDDNHRTSA-N 1 0 287.363 0.623 20 10 CCCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c1O ZINC001140182302 799885456 /nfs/dbraw/zinc/88/54/56/799885456.db2.gz OIYCRLYPVWXFEL-GFCCVEGCSA-N 1 0 264.325 0.695 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCN1C ZINC001140747848 799939976 /nfs/dbraw/zinc/93/99/76/799939976.db2.gz NAXQJQYCYRIDIT-LBPRGKRZSA-N 1 0 294.351 0.695 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156123 799984750 /nfs/dbraw/zinc/98/47/50/799984750.db2.gz FZRUFVSRKGLSHN-KBPBESRZSA-N 1 0 267.325 0.663 20 10 CCCDRO CC1(C)C[N@H+](Cc2cc(O)ccc2O)CCN1CC(N)=O ZINC001141159805 799987140 /nfs/dbraw/zinc/98/71/40/799987140.db2.gz KWTFLLBPNXCBEL-UHFFFAOYSA-N 1 0 293.367 0.479 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]CCN1 ZINC001161134502 802097320 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CN1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1=O ZINC001203877163 803051053 /nfs/dbraw/zinc/05/10/53/803051053.db2.gz NMOYPLXPLAWZQU-MNOVXSKESA-N 1 0 262.309 0.618 20 10 CCCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204281803 803077113 /nfs/dbraw/zinc/07/71/13/803077113.db2.gz KOAOOWXHWXXUKH-LBPRGKRZSA-N 1 0 281.308 0.862 20 10 CCCDRO COc1cc(CN2CC3(C2)C[NH+](C)C3)cc(O)c1O ZINC001204351463 803081105 /nfs/dbraw/zinc/08/11/05/803081105.db2.gz RVTXZOLVJAGBAH-UHFFFAOYSA-N 1 0 264.325 0.854 20 10 CCCDRO COc1cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)cc1O ZINC001204830539 803103299 /nfs/dbraw/zinc/10/32/99/803103299.db2.gz WCEIQZZWZBQMIJ-BDAKNGLRSA-N 1 0 256.277 0.587 20 10 CCCDRO C[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1[NH3+] ZINC001205880714 803182889 /nfs/dbraw/zinc/18/28/89/803182889.db2.gz PJNYAEYETHOLCE-SCZZXKLOSA-N 1 0 252.314 0.973 20 10 CCCDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(O)c(O)c(O)c1 ZINC001220894829 804694824 /nfs/dbraw/zinc/69/48/24/804694824.db2.gz LSSRKVNRDDAKSI-QMMMGPOBSA-N 1 0 252.270 0.285 20 10 CCCDRO COC(=O)[C@H](CCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC001221190565 804742065 /nfs/dbraw/zinc/74/20/65/804742065.db2.gz RTMWGZQXVAWOAA-LBPRGKRZSA-N 1 0 279.340 0.208 20 10 CCCDRO Oc1cc(CN2CCNC3(CC[NH2+]CC3)C2)cc(O)c1O ZINC001222100081 804870430 /nfs/dbraw/zinc/87/04/30/804870430.db2.gz ULYUPBGUYLVNSN-UHFFFAOYSA-N 1 0 293.367 0.331 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001249172574 807546476 /nfs/dbraw/zinc/54/64/76/807546476.db2.gz OMTORSWBBRJKBA-UHFFFAOYSA-N 1 0 279.336 0.922 20 10 CCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001249173767 807546587 /nfs/dbraw/zinc/54/65/87/807546587.db2.gz VUPYOYRWWFDPIB-LBPRGKRZSA-N 1 0 292.335 0.557 20 10 CCCDRO Oc1ccc([C@H](O)C[NH2+]C[C@H](O)C(F)(F)F)cc1O ZINC001250956628 807624574 /nfs/dbraw/zinc/62/45/74/807624574.db2.gz CQHZVQORUVSMCF-ZJUUUORDSA-N 1 0 281.230 0.644 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC001251039274 807652285 /nfs/dbraw/zinc/65/22/85/807652285.db2.gz ARTOMPCSOAHTJA-MRXNPFEDSA-N 1 0 293.411 0.535 20 10 CCCDRO Oc1cc(O)c(CC[NH2+]CC2(O)CCOCC2)cc1O ZINC001252973225 807996240 /nfs/dbraw/zinc/99/62/40/807996240.db2.gz IUDYILNNVVVSGR-UHFFFAOYSA-N 1 0 283.324 0.477 20 10 CCCDRO C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)c1ccccc1O ZINC001263175702 809470975 /nfs/dbraw/zinc/47/09/75/809470975.db2.gz JSGASLXPLOMEJY-ISTVAULSSA-N 1 0 264.325 0.682 20 10 CCCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001270575370 813820131 /nfs/dbraw/zinc/82/01/31/813820131.db2.gz LDKYCKPOSCOQTN-NWDGAFQWSA-N 1 0 276.336 0.803 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC001236348872 817276865 /nfs/dbraw/zinc/27/68/65/817276865.db2.gz NEXROECZWNXIIE-GHMZBOCLSA-N 1 0 268.288 0.463 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)C[C@H]1[NH3+] ZINC001236352181 817281953 /nfs/dbraw/zinc/28/19/53/817281953.db2.gz VCJIYHVIWXFWMB-VXGBXAGGSA-N 1 0 264.325 0.633 20 10 CCCDRO CCc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000700314627 818762395 /nfs/dbraw/zinc/76/23/95/818762395.db2.gz YCCIAOQIJIZBSH-QWHCGFSZSA-N 1 0 299.392 0.856 20 10 CCCDRO CN1CC[C@](O)(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000702574972 819145873 /nfs/dbraw/zinc/14/58/73/819145873.db2.gz UKBVPZBCEWAKKD-AWEZNQCLSA-N 1 0 280.324 0.277 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000702643344 819159723 /nfs/dbraw/zinc/15/97/23/819159723.db2.gz SECUGRUPLGOKFP-AWEZNQCLSA-N 1 0 266.341 0.557 20 10 CCCDRO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499170 840065534 /nfs/dbraw/zinc/06/55/34/840065534.db2.gz CXZYXVYOAPOYTN-RKDXNWHRSA-N 1 0 271.288 0.956 20 10 CCCDRO CN1CC2(C1)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144520367 840071146 /nfs/dbraw/zinc/07/11/46/840071146.db2.gz NDGJVSJFDRXONG-UHFFFAOYSA-N 1 0 250.298 0.551 20 10 CCCDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001144514485 840075196 /nfs/dbraw/zinc/07/51/96/840075196.db2.gz HLXTVJMJFODUEZ-IUCAKERBSA-N 1 0 250.298 0.692 20 10 CCCDRO COc1ccc(O)c(CN2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001203680861 844865106 /nfs/dbraw/zinc/86/51/06/844865106.db2.gz HQFLMHSJNBKMMK-UHFFFAOYSA-N 1 0 291.395 0.832 20 10 CCCDRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000037826853 849263062 /nfs/dbraw/zinc/26/30/62/849263062.db2.gz RYDVOCCDBZIVTB-UHFFFAOYSA-N 1 0 291.395 0.992 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000697277635 855616473 /nfs/dbraw/zinc/61/64/73/855616473.db2.gz KJEHPXNTAPIIGE-ZYHUDNBSSA-N 1 0 289.328 0.433 20 10 CCCDRO COc1cccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000697579586 855621108 /nfs/dbraw/zinc/62/11/08/855621108.db2.gz MNDAEJFUCUKAHI-VIFPVBQESA-N 1 0 273.354 0.924 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC(N)=O)cc1C ZINC001483116781 894940221 /nfs/dbraw/zinc/94/02/21/894940221.db2.gz UDVGHIXNVUKZMQ-LLVKDONJSA-N 1 0 293.367 0.473 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC001327933420 914871745 /nfs/dbraw/zinc/87/17/45/914871745.db2.gz WNVAPLQULDSUCD-UHFFFAOYSA-N 1 0 293.367 0.546 20 10 CCCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001334953550 919864440 /nfs/dbraw/zinc/86/44/40/919864440.db2.gz VQIAMZLNYJCDBK-CQSZACIVSA-N 1 0 285.340 0.896 20 10 CCCDRO COC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001336800103 921020081 /nfs/dbraw/zinc/02/00/81/921020081.db2.gz OMRFJFBNIUTPFS-TZMCWYRMSA-N 1 0 280.368 0.871 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC001339836344 921843578 /nfs/dbraw/zinc/84/35/78/921843578.db2.gz GTPRHTOEQYBSGT-GXFFZTMASA-N 1 0 266.341 0.567 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@@H]1C[NH2+]CCO1 ZINC001341767391 922665725 /nfs/dbraw/zinc/66/57/25/922665725.db2.gz QUUKFZCIPRPURJ-NSHDSACASA-N 1 0 254.261 0.136 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)cc1 ZINC001341798496 922679637 /nfs/dbraw/zinc/67/96/37/922679637.db2.gz QAURLDIUUDLPMZ-GOEBONIOSA-N 1 0 291.395 0.824 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC001344369916 923588111 /nfs/dbraw/zinc/58/81/11/923588111.db2.gz YDYWSUKIQIWNIP-SKDRFNHKSA-N 1 0 251.330 0.448 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(O)cc1O ZINC001347696348 924513785 /nfs/dbraw/zinc/51/37/85/924513785.db2.gz WTZXAWGAENNIIT-GXFFZTMASA-N 1 0 291.351 0.102 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@@H](CO)C2)c1 ZINC000271702708 353034593 /nfs/dbraw/zinc/03/45/93/353034593.db2.gz DIOKNIQPAMENMA-GFCCVEGCSA-N 1 0 253.298 0.594 20 10 CCCDRO CS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000282024980 353392333 /nfs/dbraw/zinc/39/23/33/353392333.db2.gz WFBFPZNODDZWFK-SNVBAGLBSA-N 1 0 299.348 0.740 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000295974271 353926499 /nfs/dbraw/zinc/92/64/99/353926499.db2.gz ODHFHIAFGNOKIT-XTWCZFFVSA-N 1 0 253.298 0.811 20 10 CCCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC000179836829 389663175 /nfs/dbraw/zinc/66/31/75/389663175.db2.gz YKAQCGCBWZJKKU-UHFFFAOYSA-N 1 0 263.341 0.304 20 10 CCCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)ccc21 ZINC000166476541 261390715 /nfs/dbraw/zinc/39/07/15/261390715.db2.gz TUIAFPIABGCEDE-UONOGXRCSA-N 1 0 289.379 0.408 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000373968225 267730545 /nfs/dbraw/zinc/73/05/45/267730545.db2.gz JUTDMMPPTMJGJA-STQMWFEESA-N 1 0 276.336 0.790 20 10 CCCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000291388874 328534205 /nfs/dbraw/zinc/53/42/05/328534205.db2.gz CHOPWGDVTANCKN-UHFFFAOYSA-N 1 0 299.396 0.107 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000275978373 522207255 /nfs/dbraw/zinc/20/72/55/522207255.db2.gz IICBEUNLKKEKIK-UHFFFAOYSA-N 1 0 289.376 0.531 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000232116857 523933381 /nfs/dbraw/zinc/93/33/81/523933381.db2.gz FBGBSVXPOBTERO-NSHDSACASA-N 1 0 252.314 0.714 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000726797689 581252972 /nfs/dbraw/zinc/25/29/72/581252972.db2.gz QEYPCVAPJDZXSG-VIFPVBQESA-N 1 0 250.298 0.721 20 10 CCCDRO CCOCc1cc(C[NH2+]C[C@@H](O)CO)ccc1OC ZINC000785979837 581425375 /nfs/dbraw/zinc/42/53/75/581425375.db2.gz CVJUJOMDZAJSOT-CYBMUJFWSA-N 1 0 269.341 0.675 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)ccc1O ZINC000756491711 581668383 /nfs/dbraw/zinc/66/83/83/581668383.db2.gz XZJAVDLXZRIFRP-LLVKDONJSA-N 1 0 295.358 0.956 20 10 CCCDRO [NH3+]CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746318020 581910404 /nfs/dbraw/zinc/91/04/04/581910404.db2.gz XGXBMJGAKMUUFC-UHFFFAOYSA-N 1 0 281.331 0.362 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000762556345 581950893 /nfs/dbraw/zinc/95/08/93/581950893.db2.gz NWGCFFXAWDZEHP-AWEZNQCLSA-N 1 0 266.341 0.557 20 10 CCCDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775371506 582021376 /nfs/dbraw/zinc/02/13/76/582021376.db2.gz ZCCXVBLTYCDWSK-SECBINFHSA-N 1 0 295.339 0.897 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000775744463 582036017 /nfs/dbraw/zinc/03/60/17/582036017.db2.gz MDUQFIOWSXZYGB-NSHDSACASA-N 1 0 250.298 0.721 20 10 CCCDRO CNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764604105 582058439 /nfs/dbraw/zinc/05/84/39/582058439.db2.gz UUWUWTVMHGRCNI-LBPRGKRZSA-N 1 0 277.368 0.920 20 10 CCCDRO COc1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)c(O)c1 ZINC000852891853 617253072 /nfs/dbraw/zinc/25/30/72/617253072.db2.gz ZQLOOXHMHATKIL-SNVBAGLBSA-N 1 0 279.296 0.121 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000842000398 617255282 /nfs/dbraw/zinc/25/52/82/617255282.db2.gz YWQOXXXCBVDQCS-PJXYFTJBSA-N 1 0 277.324 0.418 20 10 CCCDRO COc1ccc(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c(O)c1 ZINC000876911205 617256115 /nfs/dbraw/zinc/25/61/15/617256115.db2.gz XOGQPQNJDGEAKU-GXFFZTMASA-N 1 0 282.315 0.965 20 10 CCCDRO COc1ccc(C[NH2+]C2(C(N)=O)CC2)c(O)c1OC ZINC000893554545 617257026 /nfs/dbraw/zinc/25/70/26/617257026.db2.gz XHXNITVBYOMIFN-UHFFFAOYSA-N 1 0 266.297 0.517 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1C ZINC000839178934 617257927 /nfs/dbraw/zinc/25/79/27/617257927.db2.gz JENMMOSMLPEXPL-CYBMUJFWSA-N 1 0 276.340 0.746 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c(O)c1OC ZINC000895150473 617259883 /nfs/dbraw/zinc/25/98/83/617259883.db2.gz AQDOQKIVGDDRJS-AOOOYVTPSA-N 1 0 280.324 0.763 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2CCNC2=O)c(O)c1OC ZINC000895301795 617259995 /nfs/dbraw/zinc/25/99/95/617259995.db2.gz MSWLTBPRCMFUHB-VIFPVBQESA-N 1 0 266.297 0.388 20 10 CCCDRO COc1ccc(N2CCCN(C(=O)NCC[NH3+])CC2)cc1 ZINC000841921132 617267672 /nfs/dbraw/zinc/26/76/72/617267672.db2.gz NRYHEHDWXNAYKH-UHFFFAOYSA-N 1 0 292.383 0.876 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC[NH2+]3)C2)cc1 ZINC000851639744 617267870 /nfs/dbraw/zinc/26/78/70/617267870.db2.gz KZWFGPWPZXMFRD-BXUZGUMPSA-N 1 0 275.352 0.752 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC000855229624 617268023 /nfs/dbraw/zinc/26/80/23/617268023.db2.gz KSRUFKQPCOSGIG-GFCCVEGCSA-N 1 0 277.368 0.952 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@H](C)C[NH3+])c1O ZINC000841963456 617299049 /nfs/dbraw/zinc/29/90/49/617299049.db2.gz RTTKNLKFGLEMDQ-SECBINFHSA-N 1 0 267.329 0.795 20 10 CCCDRO COc1cccc(O)c1CN1CCCO[C@H](C[NH3+])C1 ZINC000841100904 617305230 /nfs/dbraw/zinc/30/52/30/617305230.db2.gz NNSJCHPTAXMYNK-LLVKDONJSA-N 1 0 266.341 0.950 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1O ZINC000846170686 617307640 /nfs/dbraw/zinc/30/76/40/617307640.db2.gz YSIQLXXSDJOJHN-GHMZBOCLSA-N 1 0 292.339 0.704 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c1O ZINC000846143712 617309133 /nfs/dbraw/zinc/30/91/33/617309133.db2.gz FXGLXWHXBSYLFM-WDEREUQCSA-N 1 0 268.357 0.974 20 10 CCCDRO CC(=O)C(=O)COC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000808550368 613658684 /nfs/dbraw/zinc/65/86/84/613658684.db2.gz JXGHJFBQQAOUHF-NSHDSACASA-N 1 0 255.314 0.952 20 10 CCCDRO CCS(=O)(=O)NCC[NH2+]Cc1c(C)cccc1O ZINC000876986075 615348253 /nfs/dbraw/zinc/34/82/53/615348253.db2.gz XIRSONYPXNVMLQ-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N2CC[NH2+]CC2)cc1 ZINC000841656265 616014748 /nfs/dbraw/zinc/01/47/48/616014748.db2.gz ZCTNDKHGPISSBV-UHFFFAOYSA-N 1 0 262.357 0.867 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCN2CCNC2=O)cc1 ZINC000886324500 616015664 /nfs/dbraw/zinc/01/56/64/616015664.db2.gz VCQHHCBXJSSZQD-UHFFFAOYSA-N 1 0 262.357 0.867 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2cccn2)cc1 ZINC000844162484 616019007 /nfs/dbraw/zinc/01/90/07/616019007.db2.gz DYGHQFAUULYATB-AWEZNQCLSA-N 1 0 287.367 0.765 20 10 CCCDRO CN(C)c1ccc([C@@H](CNC(=O)CCO)[NH+](C)C)cc1 ZINC000903044559 616019051 /nfs/dbraw/zinc/01/90/51/616019051.db2.gz AQZLTIRTJBDPHZ-CQSZACIVSA-N 1 0 279.384 0.854 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N(C)CCOCC[NH3+])cc1 ZINC000861549651 616115523 /nfs/dbraw/zinc/11/55/23/616115523.db2.gz MOQBXKWIZNTZRE-UHFFFAOYSA-N 1 0 294.399 0.869 20 10 CCCDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000894094712 616165140 /nfs/dbraw/zinc/16/51/40/616165140.db2.gz LWTXZBYLCYSMHX-JTQLQIEISA-N 1 0 256.252 0.991 20 10 CCCDRO CN(C)c1ccc(CN(C)C[C@@H](O)C[NH3+])cc1F ZINC000841093993 616166711 /nfs/dbraw/zinc/16/67/11/616166711.db2.gz WECMUSYPUGUGIF-NSHDSACASA-N 1 0 255.337 0.643 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000827205406 616170603 /nfs/dbraw/zinc/17/06/03/616170603.db2.gz MLOFJWSKUWQJDR-LBPRGKRZSA-N 1 0 291.351 0.219 20 10 CCCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941700 616567524 /nfs/dbraw/zinc/56/75/24/616567524.db2.gz OKHGENIJRVFJTM-OAHLLOKOSA-N 1 0 282.384 0.866 20 10 CCCDRO CNC(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876986820 616584333 /nfs/dbraw/zinc/58/43/33/616584333.db2.gz MHXAWUHQYDWTGP-UHFFFAOYSA-N 1 0 291.395 0.873 20 10 CCCDRO COC[C@H]([NH3+])Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272444 616686875 /nfs/dbraw/zinc/68/68/75/616686875.db2.gz VIYDFFIHCDOMSH-CYBMUJFWSA-N 1 0 289.383 0.909 20 10 CCCDRO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877192453 616830555 /nfs/dbraw/zinc/83/05/55/616830555.db2.gz QSYDFKAZIZJSET-ZDUSSCGKSA-N 1 0 264.325 0.647 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894278068 616922522 /nfs/dbraw/zinc/92/25/22/616922522.db2.gz QVAUITZTSYAUFB-JTQLQIEISA-N 1 0 271.313 0.506 20 10 CCCDRO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851640024 617041121 /nfs/dbraw/zinc/04/11/21/617041121.db2.gz PGVBJUJMRRDCBR-NWDGAFQWSA-N 1 0 277.368 0.998 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCNC2=O)c1 ZINC000182451102 638482888 /nfs/dbraw/zinc/48/28/88/638482888.db2.gz OSMQFSGKRCLBCI-LDYMZIIASA-N 1 0 250.298 0.940 20 10 CCCDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922064880 639474254 /nfs/dbraw/zinc/47/42/54/639474254.db2.gz RUXSSMVZYVHSSM-GFCCVEGCSA-N 1 0 289.335 0.731 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922308543 639645528 /nfs/dbraw/zinc/64/55/28/639645528.db2.gz DLQPJRPXJFOLMK-ZWNOBZJWSA-N 1 0 251.326 0.843 20 10 CCCDRO O=C(C[NH+]1CCCC1)NCc1ccc(O)c(O)c1 ZINC000821070573 641563322 /nfs/dbraw/zinc/56/33/22/641563322.db2.gz GVZNNCWYZFCXLE-UHFFFAOYSA-N 1 0 250.298 0.810 20 10 CCCDRO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccccc1O ZINC000825336998 641881057 /nfs/dbraw/zinc/88/10/57/641881057.db2.gz CIPDKKLGGGJEPA-GFCCVEGCSA-N 1 0 250.342 0.891 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCC(CO)(CO)C2)cc1OC ZINC000827474650 642008543 /nfs/dbraw/zinc/00/85/43/642008543.db2.gz HXZRQEZTGKVUFL-UHFFFAOYSA-N 1 0 297.351 0.586 20 10 CCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000828876391 642127780 /nfs/dbraw/zinc/12/77/80/642127780.db2.gz DYRLBSSLCOBBPZ-CYBMUJFWSA-N 1 0 290.411 0.563 20 10 CCCDRO C[C@@H](CC[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841955478 642860914 /nfs/dbraw/zinc/86/09/14/642860914.db2.gz DLOMWBIMKNFICQ-JTQLQIEISA-N 1 0 250.346 0.848 20 10 CCCDRO [NH3+]CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851661084 643866158 /nfs/dbraw/zinc/86/61/58/643866158.db2.gz DPPKZYUOZUEYDI-UHFFFAOYSA-N 1 0 292.383 0.406 20 10 CCCDRO COc1cc(O)c(CN2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000853249060 644095225 /nfs/dbraw/zinc/09/52/25/644095225.db2.gz MRGKKRACPYTNSK-UHFFFAOYSA-N 1 0 294.351 0.584 20 10 CCCDRO Nc1ccc(CCNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000861639565 644901384 /nfs/dbraw/zinc/90/13/84/644901384.db2.gz FFPVGASUVQWZNX-UHFFFAOYSA-N 1 0 292.383 0.618 20 10 CCCDRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000870988407 646074028 /nfs/dbraw/zinc/07/40/28/646074028.db2.gz OSFMEPFKFRVBJO-GHMZBOCLSA-N 1 0 264.325 0.948 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000877560022 646824204 /nfs/dbraw/zinc/82/42/04/646824204.db2.gz DJRZNISIEMJVKH-CYBMUJFWSA-N 1 0 285.365 0.340 20 10 CCCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(O)c1 ZINC000877567739 646824936 /nfs/dbraw/zinc/82/49/36/646824936.db2.gz QWZPBEBZSRRCNX-PHIMTYICSA-N 1 0 260.293 0.405 20 10 CCCDRO Cc1cccc(O)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000877618043 646829801 /nfs/dbraw/zinc/82/98/01/646829801.db2.gz DTJGVNSZVOKQDQ-QWHCGFSZSA-N 1 0 262.353 0.951 20 10 CCCDRO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1O ZINC000877756523 646840517 /nfs/dbraw/zinc/84/05/17/646840517.db2.gz PBAROFOUWXCWAA-SNVBAGLBSA-N 1 0 289.335 0.640 20 10 CCCDRO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccccc1O ZINC000879649984 647089911 /nfs/dbraw/zinc/08/99/11/647089911.db2.gz WLWBXBORTDHTOE-SNVBAGLBSA-N 1 0 277.324 0.985 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000090025001 649666401 /nfs/dbraw/zinc/66/64/01/649666401.db2.gz YFVFRRXSFAIDNP-ZDUSSCGKSA-N 1 0 275.352 0.990 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000090026366 649666532 /nfs/dbraw/zinc/66/65/32/649666532.db2.gz YRMDOHPXZMAIFU-JTQLQIEISA-N 1 0 278.308 0.638 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c1O ZINC001277452603 805593845 /nfs/dbraw/zinc/59/38/45/805593845.db2.gz XJICBIYNWIWACP-QMTHXVAHSA-N 1 0 262.309 0.708 20 10 CCCDRO COc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)cc1O ZINC001231633094 805823315 /nfs/dbraw/zinc/82/33/15/805823315.db2.gz NYMRUFQFQBWACS-VIFPVBQESA-N 1 0 280.324 0.804 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001231848147 805863072 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/nfs/dbraw/zinc/36/35/61/806363561.db2.gz IPRQDQJQRXFHDA-OAHLLOKOSA-N 1 0 279.359 0.977 20 10 CCCDRO Oc1cc(F)c(F)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064803 806368173 /nfs/dbraw/zinc/36/81/73/806368173.db2.gz UOWZWGHONRGWFD-AWEZNQCLSA-N 1 0 283.322 0.808 20 10 CCCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(O)c(O)cc1O)C2 ZINC001235988969 806522861 /nfs/dbraw/zinc/52/28/61/806522861.db2.gz JBJYAURDFQNUEA-NOZJJQNGSA-N 1 0 250.298 0.727 20 10 CCCDRO CCc1ccc(CN2CC[NH2+]C[C@H]2C(=O)OC)c(O)c1 ZINC001236057864 806541453 /nfs/dbraw/zinc/54/14/53/806541453.db2.gz IDZFMALWTKNNBC-ZDUSSCGKSA-N 1 0 278.352 0.901 20 10 CCCDRO CCc1ccc(CN2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)c(O)c1 ZINC001236356089 806584682 /nfs/dbraw/zinc/58/46/82/806584682.db2.gz REGCWBIQFYMEIQ-CHWSQXEVSA-N 1 0 278.352 0.887 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237484976 806673628 /nfs/dbraw/zinc/67/36/28/806673628.db2.gz KTLAXBOLBDYEED-BXUZGUMPSA-N 1 0 251.326 0.876 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)NCc1ccc(N)cc1 ZINC001120531139 798850122 /nfs/dbraw/zinc/85/01/22/798850122.db2.gz AHVSQUKHYKTLGZ-UHFFFAOYSA-N 1 0 280.372 0.646 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1Cc2cccc(O)c2C1 ZINC001123947590 799512859 /nfs/dbraw/zinc/51/28/59/799512859.db2.gz UONCCYJOLIYUGB-FZMZJTMJSA-N 1 0 287.363 0.623 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN3CC(F)(CO)C3)cc2)CC1 ZINC001139408737 799808879 /nfs/dbraw/zinc/80/88/79/799808879.db2.gz PVXXZNBOOIFGEK-UHFFFAOYSA-N 1 0 293.386 0.955 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156021 799984344 /nfs/dbraw/zinc/98/43/44/799984344.db2.gz CXYZDQPQPMVLIC-TVQRCGJNSA-N 1 0 253.298 0.273 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156014 799984446 /nfs/dbraw/zinc/98/44/46/799984446.db2.gz CXYZDQPQPMVLIC-NOZJJQNGSA-N 1 0 253.298 0.273 20 10 CCCDRO C[C@@H](C[NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924252 802047749 /nfs/dbraw/zinc/04/77/49/802047749.db2.gz GLUDBKXKULZAQF-VIFPVBQESA-N 1 0 264.325 0.967 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1O ZINC001203597222 803035791 /nfs/dbraw/zinc/03/57/91/803035791.db2.gz XOILVHWCIUKGOI-JQWIXIFHSA-N 1 0 276.336 0.969 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1 ZINC001203673426 803041649 /nfs/dbraw/zinc/04/16/49/803041649.db2.gz YQIGOPRITDZIBU-YPMHNXCESA-N 1 0 276.336 0.921 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203875538 803049371 /nfs/dbraw/zinc/04/93/71/803049371.db2.gz PKKFJLPHYJEDIO-GXFFZTMASA-N 1 0 253.298 0.273 20 10 CCCDRO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(O)c(O)c2)C1 ZINC001205665028 803153292 /nfs/dbraw/zinc/15/32/92/803153292.db2.gz QBDSPOKPYKRJJX-CQSZACIVSA-N 1 0 266.341 0.774 20 10 CCCDRO Cc1cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)ccc1N(C)C ZINC001205952863 803190993 /nfs/dbraw/zinc/19/09/93/803190993.db2.gz CQARBFYHAZRSOC-UKRRQHHQSA-N 1 0 263.385 0.955 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001206481707 803251338 /nfs/dbraw/zinc/25/13/38/803251338.db2.gz ZGNLSNILEGSMHJ-QPUJVOFHSA-N 1 0 272.732 0.503 20 10 CCCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001207825157 803453375 /nfs/dbraw/zinc/45/33/75/803453375.db2.gz UZXDAEIABISWDB-JQWIXIFHSA-N 1 0 269.316 0.954 20 10 CCCDRO O=C(CCc1ccc(O)c(O)c1)N[C@@H]1CCC[NH2+]C1 ZINC001220887009 804690893 /nfs/dbraw/zinc/69/08/93/804690893.db2.gz RLTOEISFHOKXSV-LLVKDONJSA-N 1 0 264.325 0.899 20 10 CCCDRO CN1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001255415276 808355102 /nfs/dbraw/zinc/35/51/02/808355102.db2.gz HAHYRHIVZQNWIU-SNVBAGLBSA-N 1 0 252.314 0.640 20 10 CCCDRO CN(C)c1ccc(CNS(=O)(=O)C2C[NH2+]C2)cc1 ZINC000722230451 812003347 /nfs/dbraw/zinc/00/33/47/812003347.db2.gz NBYNHMDZXDOWIG-UHFFFAOYSA-N 1 0 269.370 0.144 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c(OC)c1 ZINC001236289509 817235347 /nfs/dbraw/zinc/23/53/47/817235347.db2.gz HXPVZCDRMCRUBU-CMPLNLGQSA-N 1 0 264.325 0.813 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(O)cccc2F)C[C@@H]1[NH3+] ZINC001236342519 817266810 /nfs/dbraw/zinc/26/68/10/817266810.db2.gz JMYOQJGICVTQIG-ONGXEEELSA-N 1 0 268.288 0.463 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(O)cc2O)C[C@@H]1[NH3+] ZINC001236346865 817273605 /nfs/dbraw/zinc/27/36/05/817273605.db2.gz VOQMOGLBGQXSNV-MNOVXSKESA-N 1 0 266.297 0.030 20 10 CCCDRO CN1CCOC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000704181299 819364057 /nfs/dbraw/zinc/36/40/57/819364057.db2.gz SUFUWPQQEHKXFF-LLVKDONJSA-N 1 0 280.324 0.541 20 10 CCCDRO CN(CC1C[NH+](C)C1)C(=O)c1cccc(O)c1O ZINC000822036615 821472481 /nfs/dbraw/zinc/47/24/81/821472481.db2.gz GDPXCQBNXRJICE-UHFFFAOYSA-N 1 0 250.298 0.731 20 10 CCCDRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001169511158 836315464 /nfs/dbraw/zinc/31/54/64/836315464.db2.gz UKWYEPHEVXLROP-NSHDSACASA-N 1 0 250.298 0.808 20 10 CCCDRO CN(C[C@@H]1C[NH2+]CCO1)C(=O)Cc1ccc(N)cc1 ZINC001157720199 837318724 /nfs/dbraw/zinc/31/87/24/837318724.db2.gz CJVWGOPYVAUBTR-ZDUSSCGKSA-N 1 0 263.341 0.258 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144515907 840075444 /nfs/dbraw/zinc/07/54/44/840075444.db2.gz IUZXPSALOVVIBZ-CYBMUJFWSA-N 1 0 297.307 0.567 20 10 CCCDRO N=C(NC(=O)CCc1ccc(O)c(O)c1)SCC[NH3+] ZINC001182156013 843737471 /nfs/dbraw/zinc/73/74/71/843737471.db2.gz ZYLQYWZIDMTTSP-UHFFFAOYSA-N 1 0 283.353 0.773 20 10 CCCDRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001205958916 848062934 /nfs/dbraw/zinc/06/29/34/848062934.db2.gz HFGLEMZYKDRXID-ZYHUDNBSSA-N 1 0 256.733 0.940 20 10 CCCDRO CC(C)[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253780913 852119154 /nfs/dbraw/zinc/11/91/54/852119154.db2.gz XAPLTNVWDXSZJJ-ZDUSSCGKSA-N 1 0 255.314 0.952 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389348891 853992793 /nfs/dbraw/zinc/99/27/93/853992793.db2.gz YLRGKEMPWXNSMY-NSHDSACASA-N 1 0 284.381 0.908 20 10 CCCDRO C[NH+](C)CC1CN(C(=O)c2cccc(O)c2O)C1 ZINC000394407757 854179464 /nfs/dbraw/zinc/17/94/64/854179464.db2.gz DKJPJNGQDHRAPI-UHFFFAOYSA-N 1 0 250.298 0.731 20 10 CCCDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001325426230 913401113 /nfs/dbraw/zinc/40/11/13/913401113.db2.gz DGAZWQPIFFCKLM-LBPRGKRZSA-N 1 0 293.367 0.450 20 10 CCCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001205210561 897415089 /nfs/dbraw/zinc/41/50/89/897415089.db2.gz PYJQNFKDPWZWQH-CQSZACIVSA-N 1 0 266.341 0.774 20 10 CCCDRO C[S@@](=O)C1(C(=O)Nc2ccc(N)cc2)CC[NH2+]CC1 ZINC001330574591 903893476 /nfs/dbraw/zinc/89/34/76/903893476.db2.gz WKMNMDWCHSCDSR-LJQANCHMSA-N 1 0 281.381 0.708 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CN1 ZINC001246246903 904001419 /nfs/dbraw/zinc/00/14/19/904001419.db2.gz UZAOJBXRZJVDGL-QWRGUYRKSA-N 1 0 280.324 0.133 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1O ZINC001350225664 925152128 /nfs/dbraw/zinc/15/21/28/925152128.db2.gz XNQGRODJTIIQIN-DYEKYZERSA-N 1 0 289.379 0.958 20 10 CCCDRO O=C(NCc1ccccc1O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001357497901 926551290 /nfs/dbraw/zinc/55/12/90/926551290.db2.gz GSIZFJCPOBJQRJ-OAHLLOKOSA-N 1 0 289.335 0.907 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001357667331 926581689 /nfs/dbraw/zinc/58/16/89/926581689.db2.gz CYUSVQBXHHUIML-CQSZACIVSA-N 1 0 292.383 0.789 20 10 CCCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2c(O)cccc2F)C1 ZINC001358168132 926648956 /nfs/dbraw/zinc/64/89/56/926648956.db2.gz OIHUJWDKYKXSGN-OTYXRUKQSA-N 1 0 282.315 0.915 20 10 CCCDRO COCCC[N@H+](C)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001444999684 929998261 /nfs/dbraw/zinc/99/82/61/929998261.db2.gz QMBNKEQBMYRJID-UHFFFAOYSA-N 1 0 296.367 0.725 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)ccc1O ZINC000187570022 351547410 /nfs/dbraw/zinc/54/74/10/351547410.db2.gz HZWJSEMRARRVPL-MNOVXSKESA-N 1 0 269.272 0.640 20 10 CCCDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(O)c1O ZINC000296282083 389009772 /nfs/dbraw/zinc/00/97/72/389009772.db2.gz HGZGEUJFLPUVAE-NSHDSACASA-N 1 0 294.351 0.674 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000091863790 389025772 /nfs/dbraw/zinc/02/57/72/389025772.db2.gz ULNPHRVJFGGGPG-AWEZNQCLSA-N 1 0 274.368 0.962 20 10 CCCDRO COc1cccc(C[NH2+]C[C@H]2COCCN2)c1O ZINC000530180461 285557863 /nfs/dbraw/zinc/55/78/63/285557863.db2.gz ADSNPNQQTKJPBF-NSHDSACASA-N 1 0 252.314 0.479 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000184191019 262272048 /nfs/dbraw/zinc/27/20/48/262272048.db2.gz YSFLSGVWMRLWEH-AWEZNQCLSA-N 1 0 250.342 0.994 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000220997784 327932543 /nfs/dbraw/zinc/93/25/43/327932543.db2.gz IBTUTQLAUSHEQC-UHFFFAOYSA-N 1 0 272.370 0.642 20 10 CCCDRO COCC[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000281393478 521929213 /nfs/dbraw/zinc/92/92/13/521929213.db2.gz XARLNPJTIGFREO-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000234876244 522303378 /nfs/dbraw/zinc/30/33/78/522303378.db2.gz JYLJROLYMRYTGI-SECBINFHSA-N 1 0 255.270 0.218 20 10 CCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1O ZINC000264735306 523887201 /nfs/dbraw/zinc/88/72/01/523887201.db2.gz HQGFOOULCFGHAK-CYBMUJFWSA-N 1 0 292.383 0.437 20 10 CCCDRO COc1cccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1O ZINC000078639192 526029299 /nfs/dbraw/zinc/02/92/99/526029299.db2.gz YGEZXYLAVLPKQM-VIFPVBQESA-N 1 0 273.354 0.924 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CCCN1CCOCC1)OCO2 ZINC000042879506 526337161 /nfs/dbraw/zinc/33/71/61/526337161.db2.gz GTTGXTLHCBWRFQ-UHFFFAOYSA-N 1 0 294.351 0.933 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CCN(CCO)CC2)c1 ZINC000305776334 649873448 /nfs/dbraw/zinc/87/34/48/649873448.db2.gz OJSOBTMHVOMTGJ-UHFFFAOYSA-N 1 0 266.341 0.511 20 10 CCCDRO OC[C@]12C[C@H]1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000783739564 581358263 /nfs/dbraw/zinc/35/82/63/581358263.db2.gz GBMSJENVKCMWQF-IINYFYTJSA-N 1 0 263.293 0.935 20 10 CCCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794710232 581385079 /nfs/dbraw/zinc/38/50/79/581385079.db2.gz KKVACXFGJYHYNP-DOMZBBRYSA-N 1 0 292.335 0.515 20 10 CCCDRO CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000769452001 581690305 /nfs/dbraw/zinc/69/03/05/581690305.db2.gz OQQMNDOGVFBIPH-BETUJISGSA-N 1 0 253.298 0.328 20 10 CCCDRO COc1cccc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000770383413 581740344 /nfs/dbraw/zinc/74/03/44/581740344.db2.gz UYAFCZJKLDQYPO-JTQLQIEISA-N 1 0 250.298 0.721 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1OC ZINC000762791277 581961851 /nfs/dbraw/zinc/96/18/51/581961851.db2.gz NHIZWMFQNBBDNA-HNNXBMFYSA-N 1 0 296.367 0.566 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000775135902 582012507 /nfs/dbraw/zinc/01/25/07/582012507.db2.gz JDETTXHAUUCZPA-JTQLQIEISA-N 1 0 272.370 0.982 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCNC1=O ZINC000768465457 582107129 /nfs/dbraw/zinc/10/71/29/582107129.db2.gz NCKDJXOOTKRULX-ZYHUDNBSSA-N 1 0 278.308 0.138 20 10 CCCDRO COc1cc(O)c(CN(C)C2C[NH2+]C2)cc1OC ZINC000843124688 617207497 /nfs/dbraw/zinc/20/74/97/617207497.db2.gz JTLUSCRPWMJEIV-UHFFFAOYSA-N 1 0 252.314 0.813 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]2CO)cc1OC ZINC000902633149 617207632 /nfs/dbraw/zinc/20/76/32/617207632.db2.gz SAVQIZZGXDGJFI-SNVBAGLBSA-N 1 0 253.298 0.976 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1OC ZINC000895329364 617207667 /nfs/dbraw/zinc/20/76/67/617207667.db2.gz JIFYGFQBAWZRQH-XHDPSFHLSA-N 1 0 297.351 0.727 20 10 CCCDRO COc1ccc(C[NH+]2CCC(O)(CO)CC2)c(O)c1OC ZINC000895362774 617249408 /nfs/dbraw/zinc/24/94/08/617249408.db2.gz HOOGBZBAPORSMZ-UHFFFAOYSA-N 1 0 297.351 0.729 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)[C@@H](C)O)CC2)cc1 ZINC000865739368 617267586 /nfs/dbraw/zinc/26/75/86/617267586.db2.gz VDCWPDJKISILNC-MLGOLLRUSA-N 1 0 294.395 0.995 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827475321 617305175 /nfs/dbraw/zinc/30/51/75/617305175.db2.gz XKMWJOAEWULVEP-UHFFFAOYSA-N 1 0 267.325 0.578 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876873267 615068063 /nfs/dbraw/zinc/06/80/63/615068063.db2.gz ADQKMAAXFYSNBL-HNNXBMFYSA-N 1 0 292.427 0.990 20 10 CCCDRO CCNC(=O)C1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000839138968 615455892 /nfs/dbraw/zinc/45/58/92/615455892.db2.gz RRTCJTYGKXDKPX-UHFFFAOYSA-N 1 0 294.351 0.977 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000877643849 615512119 /nfs/dbraw/zinc/51/21/19/615512119.db2.gz KBNPKYKRPPSNMN-CYBMUJFWSA-N 1 0 280.368 0.899 20 10 CCCDRO C[NH+](C)CCN1CCN(Cc2ccccc2O)CC1=O ZINC000846012111 615899380 /nfs/dbraw/zinc/89/93/80/615899380.db2.gz WYAPMHUTZGCUEE-UHFFFAOYSA-N 1 0 277.368 0.598 20 10 CCCDRO CN(C)c1ccc(CNC(=O)c2c(C[NH3+])cnn2C)cc1 ZINC000876712640 616015536 /nfs/dbraw/zinc/01/55/36/616015536.db2.gz RJIYTLJSNJESPX-UHFFFAOYSA-N 1 0 287.367 0.875 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1F ZINC000876740775 616015715 /nfs/dbraw/zinc/01/57/15/616015715.db2.gz NFPFFHHJGONDPR-WCQYABFASA-N 1 0 281.331 0.624 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccn[nH]2)cc1 ZINC000832299584 616019525 /nfs/dbraw/zinc/01/95/25/616019525.db2.gz DZRJFUDVQWFGFI-LBPRGKRZSA-N 1 0 273.340 0.906 20 10 CCCDRO CN(CC[NH2+]Cc1ccccc1O)CCOCCO ZINC000883351188 616096231 /nfs/dbraw/zinc/09/62/31/616096231.db2.gz ZJVFFZPGBXFQLG-UHFFFAOYSA-N 1 0 268.357 0.423 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846666641 616171116 /nfs/dbraw/zinc/17/11/16/616171116.db2.gz ACXQDBBZPOYGKY-WFASDCNBSA-N 1 0 276.336 0.587 20 10 CCCDRO COCC[NH2+]CCNC(=O)NCc1cccc(OC)c1O ZINC000841968352 616509650 /nfs/dbraw/zinc/50/96/50/616509650.db2.gz OWBWASFZGZSBRH-UHFFFAOYSA-N 1 0 297.355 0.436 20 10 CCCDRO CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662967 616763645 /nfs/dbraw/zinc/76/36/45/616763645.db2.gz HQCMGUUNQLBQTL-UHFFFAOYSA-N 1 0 262.357 0.867 20 10 CCCDRO COC[C@]1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]C1 ZINC000818545170 616849896 /nfs/dbraw/zinc/84/98/96/616849896.db2.gz MUQGNOPZGBJHOS-HNNXBMFYSA-N 1 0 277.368 0.554 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925870244 616918538 /nfs/dbraw/zinc/91/85/38/616918538.db2.gz UYVFMYMJWKEAEU-SCZZXKLOSA-N 1 0 266.297 0.733 20 10 CCCDRO C[NH2+]CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843543 616939279 /nfs/dbraw/zinc/93/92/79/616939279.db2.gz ANZPDWSEOLPRKP-LBPRGKRZSA-N 1 0 277.368 1.000 20 10 CCCDRO C[NH2+]CCNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841037207 616963429 /nfs/dbraw/zinc/96/34/29/616963429.db2.gz QHZSVZOPVLTDQU-UHFFFAOYSA-N 1 0 255.274 0.618 20 10 CCCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858325113 617054044 /nfs/dbraw/zinc/05/40/44/617054044.db2.gz MFIYTNQQZRSPQR-MRVPVSSYSA-N 1 0 282.296 0.619 20 10 CCCDRO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccccc1O ZINC000891972181 625013111 /nfs/dbraw/zinc/01/31/11/625013111.db2.gz ARXWMAUAEBGKAO-LBPRGKRZSA-N 1 0 292.383 0.658 20 10 CCCDRO O=C(NCCN1CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000891973787 625013950 /nfs/dbraw/zinc/01/39/50/625013950.db2.gz XSIXEORUMUDPIM-UHFFFAOYSA-N 1 0 290.367 0.323 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000840936643 630985353 /nfs/dbraw/zinc/98/53/53/630985353.db2.gz ALJZKAPEBAGIHN-GJZGRUSLSA-N 1 0 264.369 0.989 20 10 CCCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000895325140 632056677 /nfs/dbraw/zinc/05/66/77/632056677.db2.gz OHIILADZODZBDI-RNCFNFMXSA-N 1 0 273.279 0.988 20 10 CCCDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(O)c1 ZINC000895371529 632070248 /nfs/dbraw/zinc/07/02/48/632070248.db2.gz RJAYWPVMYNOYDC-MNOVXSKESA-N 1 0 250.298 0.121 20 10 CCCDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1O ZINC000895772136 632151618 /nfs/dbraw/zinc/15/16/18/632151618.db2.gz CLGOLLFBCWPJLR-CYBMUJFWSA-N 1 0 276.336 0.777 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c(O)c1 ZINC000897052448 632381398 /nfs/dbraw/zinc/38/13/98/632381398.db2.gz LUXHQVHIITXCCZ-NSHDSACASA-N 1 0 284.381 0.811 20 10 CCCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000322806084 633356007 /nfs/dbraw/zinc/35/60/07/633356007.db2.gz SBRBDXLYYLCXJM-QMMMGPOBSA-N 1 0 266.297 0.735 20 10 CCCDRO Nc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC000911660971 636325677 /nfs/dbraw/zinc/32/56/77/636325677.db2.gz QHFKQFDJFHMBSO-YGRLFVJLSA-N 1 0 261.325 0.833 20 10 CCCDRO [NH3+]CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000237975729 638253984 /nfs/dbraw/zinc/25/39/84/638253984.db2.gz VTYFMRQNQHQJTE-UHFFFAOYSA-N 1 0 265.382 0.815 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCNC2=O)c1 ZINC000182451081 638483401 /nfs/dbraw/zinc/48/34/01/638483401.db2.gz OSMQFSGKRCLBCI-GZMMTYOYSA-N 1 0 250.298 0.940 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cn1ccnn1 ZINC000922178000 639545584 /nfs/dbraw/zinc/54/55/84/639545584.db2.gz MHGXAITUWHEEIS-CQSZACIVSA-N 1 0 288.351 0.754 20 10 CCCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000839180326 640305925 /nfs/dbraw/zinc/30/59/25/640305925.db2.gz SLSLVLNJAZPBLH-NSHDSACASA-N 1 0 282.731 0.788 20 10 CCCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839532197 640335123 /nfs/dbraw/zinc/33/51/23/640335123.db2.gz KDGXQQFXTZJITQ-IUODEOHRSA-N 1 0 291.395 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290.363 0.957 20 10 CCCDRO O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@@H]12 ZINC000863338920 645083138 /nfs/dbraw/zinc/08/31/38/645083138.db2.gz XFZJHYQIUTUGQO-XWIASGKRSA-N 1 0 291.303 0.423 20 10 CCCDRO OCC[NH2+]C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000873217383 646359664 /nfs/dbraw/zinc/35/96/64/646359664.db2.gz KTPDMCMQGOYRPO-UHFFFAOYSA-N 1 0 294.351 0.667 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(O)c1 ZINC000877657643 646832972 /nfs/dbraw/zinc/83/29/72/646832972.db2.gz GKXLYYFALYQQJO-GFCCVEGCSA-N 1 0 264.325 0.777 20 10 CCCDRO Cc1cc(Cn2cc([C@H]([NH3+])CO)nn2)ccc1N(C)C ZINC000881377390 647307802 /nfs/dbraw/zinc/30/78/02/647307802.db2.gz LSPSLIVSHUTJGA-GFCCVEGCSA-N 1 0 275.356 0.693 20 10 CCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883144797 647495110 /nfs/dbraw/zinc/49/51/10/647495110.db2.gz AYVMLYAZFWIPBY-MLGOLLRUSA-N 1 0 294.395 0.479 20 10 CCCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035111352 648700133 /nfs/dbraw/zinc/70/01/33/648700133.db2.gz JNWIQMDAICCYRR-GFCCVEGCSA-N 1 0 250.342 0.994 20 10 CCCDRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000932494283 649076754 /nfs/dbraw/zinc/07/67/54/649076754.db2.gz PGSXFYMWOVZPKK-DOMZBBRYSA-N 1 0 291.395 0.993 20 10 CCCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CCN1CC(N)=O ZINC001140055068 790653474 /nfs/dbraw/zinc/65/34/74/790653474.db2.gz GUAIJXSJFMHPSC-UHFFFAOYSA-N 1 0 295.358 0.913 20 10 CCCDRO COc1cc(C[NH+]2CC(C(N)=O)C2)c(O)cc1O ZINC001231637946 805824423 /nfs/dbraw/zinc/82/44/23/805824423.db2.gz UTPNIZDFIHAWRU-UHFFFAOYSA-N 1 0 252.270 0.024 20 10 CCCDRO NC(=O)[C@H]1CCSC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277658072 805932148 /nfs/dbraw/zinc/93/21/48/805932148.db2.gz XKXHSFVWXLZAHD-LLVKDONJSA-N 1 0 294.376 0.891 20 10 CCCDRO C[NH+]1CCN(C2CN(Cc3cc(O)c(O)c(O)c3)C2)CC1 ZINC001233014970 806006200 /nfs/dbraw/zinc/00/62/00/806006200.db2.gz CPFVKSYAHRVICE-UHFFFAOYSA-N 1 0 293.367 0.235 20 10 CCCDRO CC(=O)N(C)[C@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015744 806007013 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ZINC001237668310 806708171 /nfs/dbraw/zinc/70/81/71/806708171.db2.gz BZXAHCRLOXPFMV-JQWIXIFHSA-N 1 0 283.324 0.194 20 10 CCCDRO Cc1cc(F)cc(CN2CC(N3CCNC(=O)C3)C2)c1O ZINC001238069653 806746466 /nfs/dbraw/zinc/74/64/66/806746466.db2.gz JTBUDTMIEADMRN-UHFFFAOYSA-N 1 0 293.342 0.456 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140745567 799937624 /nfs/dbraw/zinc/93/76/24/799937624.db2.gz KSBJTPWHDISTAY-UHFFFAOYSA-N 1 0 252.314 0.974 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031892 799973796 /nfs/dbraw/zinc/97/37/96/799973796.db2.gz NMHTVKWUUUXTBL-GXFFZTMASA-N 1 0 297.351 0.585 20 10 CCCDRO [NH3+][C@H]1CN(C(=O)c2ccc(O)c(O)c2Cl)C[C@H]1F ZINC001157555042 801416071 /nfs/dbraw/zinc/41/60/71/801416071.db2.gz CRCSOZCJRBKDAD-RQJHMYQMSA-N 1 0 274.679 0.872 20 10 CCCDRO N[C@]1(C(=O)N2CCc3cccc(O)c3C2)CCC[NH2+]C1 ZINC001160871950 802036542 /nfs/dbraw/zinc/03/65/42/802036542.db2.gz BXPVGDCNIUPQKV-OAHLLOKOSA-N 1 0 275.352 0.358 20 10 CCCDRO O=C(CNC1CC[NH2+]CC1)N1CCc2cccc(O)c2C1 ZINC001160873427 802036548 /nfs/dbraw/zinc/03/65/48/802036548.db2.gz ZKVYHXWNDYDXMR-UHFFFAOYSA-N 1 0 289.379 0.619 20 10 CCCDRO Cn1ccc(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)cc1=O ZINC001240986853 806960980 /nfs/dbraw/zinc/96/09/80/806960980.db2.gz XPMQISKLVOPEBY-GFCCVEGCSA-N 1 0 272.308 0.583 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001203669437 803041019 /nfs/dbraw/zinc/04/10/19/803041019.db2.gz CENGFNGBQVXWRQ-IINYFYTJSA-N 1 0 267.325 0.576 20 10 CCCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204275518 803075102 /nfs/dbraw/zinc/07/51/02/803075102.db2.gz UVDZVIOMVQMEBL-NSHDSACASA-N 1 0 250.298 0.938 20 10 CCCDRO Oc1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001204276759 803076516 /nfs/dbraw/zinc/07/65/16/803076516.db2.gz QDPWDGPISOHXHB-UHFFFAOYSA-N 1 0 260.297 0.748 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206474895 803250179 /nfs/dbraw/zinc/25/01/79/803250179.db2.gz IBTJVOJOUXGBOU-TVQRCGJNSA-N 1 0 282.340 0.161 20 10 CCCDRO COc1cc(C(=O)N2CC3(C2)CC[N@H+](C)C3)cc(O)c1O ZINC001276500450 803327457 /nfs/dbraw/zinc/32/74/57/803327457.db2.gz PZZVVYMRCQLDPC-UHFFFAOYSA-N 1 0 292.335 0.884 20 10 CCCDRO COc1ccc(C[N@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC000179677606 803752303 /nfs/dbraw/zinc/75/23/03/803752303.db2.gz RTAIAFBQVQUCFD-UHFFFAOYSA-N 1 0 294.351 0.691 20 10 CCCDRO Nc1ccc(CC(=O)Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC001218639847 804054525 /nfs/dbraw/zinc/05/45/25/804054525.db2.gz DSNOJYOKJJLFBQ-UHFFFAOYSA-N 1 0 271.324 0.791 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c(O)c1 ZINC001220826049 804675449 /nfs/dbraw/zinc/67/54/49/804675449.db2.gz YYJWDZVZUWZXAH-MLGOLLRUSA-N 1 0 289.379 0.577 20 10 CCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[NH2+]C1 ZINC001220884695 804689813 /nfs/dbraw/zinc/68/98/13/804689813.db2.gz KZKPMPGGZKLDCV-DUMNWFOQSA-N 1 0 262.309 0.979 20 10 CCCDRO Oc1cc(O)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1O ZINC001222506927 804910077 /nfs/dbraw/zinc/91/00/77/804910077.db2.gz HZADKQYHSMYZFR-RYUDHWBXSA-N 1 0 293.367 0.329 20 10 CCCDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001276830975 804915061 /nfs/dbraw/zinc/91/50/61/804915061.db2.gz XPLREPIUIWBVBJ-WDEREUQCSA-N 1 0 264.325 0.939 20 10 CCCDRO NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001276914695 804986434 /nfs/dbraw/zinc/98/64/34/804986434.db2.gz SYOSWCWMXPGXLM-GYSYKLTISA-N 1 0 292.335 0.563 20 10 CCCDRO C[N@@H+]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464178 805234944 /nfs/dbraw/zinc/23/49/44/805234944.db2.gz DRBTWBJSDBXSCY-YFKPBYRVSA-N 1 0 257.242 0.298 20 10 CCCDRO Oc1cc(O)c(CCN[C@@H]2CCC[NH2+]C2)cc1O ZINC001246211535 807187920 /nfs/dbraw/zinc/18/79/20/807187920.db2.gz KNBSKMXOHNGLIR-SNVBAGLBSA-N 1 0 252.314 0.688 20 10 CCCDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(N)cc1 ZINC001262603613 809371667 /nfs/dbraw/zinc/37/16/67/809371667.db2.gz OMKBQBMOXRPLHY-CQSZACIVSA-N 1 0 280.372 0.381 20 10 CCCDRO O=S(=O)(NCc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000722215227 812002424 /nfs/dbraw/zinc/00/24/24/812002424.db2.gz WIUWRWCFAUOZIC-NSHDSACASA-N 1 0 270.354 0.564 20 10 CCCDRO CN(C)c1ccc(CN(C)S(=O)(=O)C2C[NH2+]C2)cc1 ZINC000722230922 812003482 /nfs/dbraw/zinc/00/34/82/812003482.db2.gz URXGCOCXZDAIMQ-UHFFFAOYSA-N 1 0 283.397 0.486 20 10 CCCDRO COc1cccc(CN2CCN(C)C[C@@H]2C[NH3+])c1O ZINC000226609877 815986841 /nfs/dbraw/zinc/98/68/41/815986841.db2.gz QIQUBCGKVFBJJX-LBPRGKRZSA-N 1 0 265.357 0.476 20 10 CCCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(O)c(O)cc1O)C2 ZINC001235988982 816973379 /nfs/dbraw/zinc/97/33/79/816973379.db2.gz JBJYAURDFQNUEA-ZANVPECISA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(O)ccc2O)C[C@@H]1[NH3+] ZINC001236346631 817272942 /nfs/dbraw/zinc/27/29/42/817272942.db2.gz JGUMIVDWGWHAAC-QWRGUYRKSA-N 1 0 266.297 0.030 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000702389271 819113985 /nfs/dbraw/zinc/11/39/85/819113985.db2.gz OJYCGCRRSAPYCR-AWEZNQCLSA-N 1 0 278.400 0.600 20 10 CCCDRO CN1CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000702594066 819148299 /nfs/dbraw/zinc/14/82/99/819148299.db2.gz SLIZZDZBANUHDN-CYBMUJFWSA-N 1 0 254.305 0.688 20 10 CCCDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001169492826 836301017 /nfs/dbraw/zinc/30/10/17/836301017.db2.gz CXBPYOVBZYTOIP-SMDDNHRTSA-N 1 0 280.324 0.342 20 10 CCCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499883 840067604 /nfs/dbraw/zinc/06/76/04/840067604.db2.gz NLXUXZRAZNJBLE-SNVBAGLBSA-N 1 0 267.281 0.941 20 10 CCCDRO CN1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500138 840067865 /nfs/dbraw/zinc/06/78/65/840067865.db2.gz PQQWRAXDRFEYBO-UHFFFAOYSA-N 1 0 252.314 0.941 20 10 CCCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509262 840073120 /nfs/dbraw/zinc/07/31/20/840073120.db2.gz RBGGKKPLNAYJPW-JTQLQIEISA-N 1 0 280.324 0.904 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144515077 840074658 /nfs/dbraw/zinc/07/46/58/840074658.db2.gz DQPYJFVQPLOPJU-JTQLQIEISA-N 1 0 282.340 0.566 20 10 CCCDRO [NH3+]CCN(C(=O)c1cc(O)c(O)c(O)c1)c1cccnc1 ZINC001148590204 840855268 /nfs/dbraw/zinc/85/52/68/840855268.db2.gz YYHFPYWKQWUERD-UHFFFAOYSA-N 1 0 289.291 0.804 20 10 CCCDRO N=c1ncc(C[NH3+])cn1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179691293 843035701 /nfs/dbraw/zinc/03/57/01/843035701.db2.gz GWWYFZMLCIZKJQ-DNANAMCDSA-N 1 0 286.291 0.586 20 10 CCCDRO COc1cc(C)c(C[NH2+]CC(=O)N(C)OC)c(O)c1 ZINC001182480718 843849003 /nfs/dbraw/zinc/84/90/03/843849003.db2.gz TVFCCHBQJCTVOP-UHFFFAOYSA-N 1 0 268.313 0.819 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000717354969 848237505 /nfs/dbraw/zinc/23/75/05/848237505.db2.gz RQZABAQSEWCMPN-WRWORJQWSA-N 1 0 290.157 0.986 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000717404010 848254477 /nfs/dbraw/zinc/25/44/77/848254477.db2.gz LBUIKXKJIHRYAV-QWRGUYRKSA-N 1 0 268.357 0.974 20 10 CCCDRO COC[C@@]1(C(=O)N(C)Cc2ccccc2O)CC[NH2+]C1 ZINC000380934325 849697422 /nfs/dbraw/zinc/69/74/22/849697422.db2.gz PGULSRBKAYSFLT-OAHLLOKOSA-N 1 0 278.352 0.977 20 10 CCCDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccccc1O ZINC000390196523 854023508 /nfs/dbraw/zinc/02/35/08/854023508.db2.gz USWOGLUHDMQAON-JTQLQIEISA-N 1 0 272.370 0.982 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031984 892350258 /nfs/dbraw/zinc/35/02/58/892350258.db2.gz PICYJXGZMSGISG-ZANVPECISA-N 1 0 283.324 0.194 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O)cc1C ZINC001482326707 893873778 /nfs/dbraw/zinc/87/37/78/893873778.db2.gz MYQRTATYYFWQSL-NSHDSACASA-N 1 0 293.367 0.425 20 10 CCCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001327550384 914611833 /nfs/dbraw/zinc/61/18/33/914611833.db2.gz HBXXUSMRYIIKGD-LLVKDONJSA-N 1 0 293.367 0.465 20 10 CCCDRO Nc1ccc(CCNC(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001338730602 921555757 /nfs/dbraw/zinc/55/57/57/921555757.db2.gz CRXWZZMFZVDJOL-AULYBMBSSA-N 1 0 262.357 0.848 20 10 CCCDRO NC(=O)COC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001335285835 920092500 /nfs/dbraw/zinc/09/25/00/920092500.db2.gz SDPNJUSCHOPOGH-UHFFFAOYSA-N 1 0 263.341 0.735 20 10 CCCDRO O=C(C(=O)N1CCC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC001335715812 920391219 /nfs/dbraw/zinc/39/12/19/920391219.db2.gz POKRXYHOWKBPQX-UHFFFAOYSA-N 1 0 289.335 0.056 20 10 CCCDRO C[C@H](O)CN1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335726685 920401084 /nfs/dbraw/zinc/40/10/84/920401084.db2.gz VQJDDXXEYMHDEL-LBPRGKRZSA-N 1 0 292.383 0.477 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](O)C[NH3+] ZINC001340113515 921963734 /nfs/dbraw/zinc/96/37/34/921963734.db2.gz SQNCGDYNVZENBP-LLVKDONJSA-N 1 0 279.340 0.188 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](O)C[NH3+])cc1 ZINC001340557764 922123899 /nfs/dbraw/zinc/12/38/99/922123899.db2.gz OPJDIETULTZHRI-CYBMUJFWSA-N 1 0 295.383 0.300 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001340735742 922193793 /nfs/dbraw/zinc/19/37/93/922193793.db2.gz PLTCFPQGLNOMBN-GFCCVEGCSA-N 1 0 261.325 0.058 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](O)C[NH3+] ZINC001343431699 923312386 /nfs/dbraw/zinc/31/23/86/923312386.db2.gz MTIWJILQLUQHFV-CYBMUJFWSA-N 1 0 265.357 0.387 20 10 CCCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001346209406 924112885 /nfs/dbraw/zinc/11/28/85/924112885.db2.gz IRPJAGBIBAGIIC-LBPRGKRZSA-N 1 0 251.330 0.637 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001350063195 925124774 /nfs/dbraw/zinc/12/47/74/925124774.db2.gz QSESSRUYILMKKO-UMSPYCQHSA-N 1 0 291.351 0.204 20 10 CCCDRO Nc1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC001357791632 926597858 /nfs/dbraw/zinc/59/78/58/926597858.db2.gz OLXTWLQIKYFBFF-GFCCVEGCSA-N 1 0 264.329 0.138 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CC1(O)CCOCC1)OCO2 ZINC000112717367 349789496 /nfs/dbraw/zinc/78/94/96/349789496.db2.gz GRNZNDNJRPQGFG-UHFFFAOYSA-N 1 0 281.308 0.752 20 10 CCCDRO C[C@H](CNC(=O)c1cccc(O)c1O)N1CC[NH+](C)CC1 ZINC000187106885 351530201 /nfs/dbraw/zinc/53/02/01/351530201.db2.gz HOKIUHLZHSXNTI-LLVKDONJSA-N 1 0 293.367 0.464 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000187181634 351532838 /nfs/dbraw/zinc/53/28/38/351532838.db2.gz PRDSZRLLSPRXNA-MRVPVSSYSA-N 1 0 276.333 0.731 20 10 CCCDRO COc1cccc(CN2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000188734489 351623041 /nfs/dbraw/zinc/62/30/41/351623041.db2.gz PMALOKPBGDCXQD-GFCCVEGCSA-N 1 0 280.368 0.899 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284884395 353557846 /nfs/dbraw/zinc/55/78/46/353557846.db2.gz FOBVTQOCZPKPPW-CQSZACIVSA-N 1 0 263.341 0.175 20 10 CCCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1O ZINC000288713016 353687263 /nfs/dbraw/zinc/68/72/63/353687263.db2.gz ZKPGTZIAJPZOLS-GXSJLCMTSA-N 1 0 255.339 0.915 20 10 CCCDRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295773832 353918207 /nfs/dbraw/zinc/91/82/07/353918207.db2.gz ALKUJWAPTKHXPG-LLVKDONJSA-N 1 0 284.381 0.908 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC000294934245 199257665 /nfs/dbraw/zinc/25/76/65/199257665.db2.gz ZQJMULPCSNTAKQ-LBPRGKRZSA-N 1 0 267.325 0.984 20 10 CCCDRO NC(=O)[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180021380 389665501 /nfs/dbraw/zinc/66/55/01/389665501.db2.gz MVJCTXUQXINGBP-LLVKDONJSA-N 1 0 254.261 0.217 20 10 CCCDRO Nc1ccc(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000375954177 389726960 /nfs/dbraw/zinc/72/69/60/389726960.db2.gz NPMJOOAWNGYOJB-OAHLLOKOSA-N 1 0 288.395 0.317 20 10 CCCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000078639900 260168478 /nfs/dbraw/zinc/16/84/78/260168478.db2.gz SOYQCJYSABGVRU-MRVPVSSYSA-N 1 0 287.337 0.644 20 10 CCCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000370390709 267315813 /nfs/dbraw/zinc/31/58/13/267315813.db2.gz XWVDTADMWARYDC-NWDGAFQWSA-N 1 0 267.325 0.718 20 10 CCCDRO CS(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362941 326919059 /nfs/dbraw/zinc/91/90/59/326919059.db2.gz HHBQLGXLGHDBJX-UHFFFAOYSA-N 1 0 270.354 0.260 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289468356 523502929 /nfs/dbraw/zinc/50/29/29/523502929.db2.gz AOTILDHZXRTCKA-LBPRGKRZSA-N 1 0 269.320 0.482 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000093531380 525345453 /nfs/dbraw/zinc/34/54/53/525345453.db2.gz WBAKBFOWVGZHME-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986744 581426364 /nfs/dbraw/zinc/42/63/64/581426364.db2.gz XEXOQDNVZLUBGF-LLVKDONJSA-N 1 0 270.354 0.563 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000895405780 617176051 /nfs/dbraw/zinc/17/60/51/617176051.db2.gz NEJZBZYTVMNOQB-VXGBXAGGSA-N 1 0 267.325 0.949 20 10 CCCDRO C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1O ZINC000877256232 617192408 /nfs/dbraw/zinc/19/24/08/617192408.db2.gz PYFPYYBHJOHEER-LLVKDONJSA-N 1 0 263.341 0.475 20 10 CCCDRO COc1ccc(C[NH2+][C@@H](C)CC(N)=O)c(O)c1OC ZINC000893133009 617258865 /nfs/dbraw/zinc/25/88/65/617258865.db2.gz XWANILABKMYPCS-QMMMGPOBSA-N 1 0 268.313 0.763 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC000844401801 617267152 /nfs/dbraw/zinc/26/71/52/617267152.db2.gz RDZFMGPGIIQQPW-AWEZNQCLSA-N 1 0 277.368 0.952 20 10 CCCDRO COc1ccc(N2CCC([NH2+][C@H](CO)[C@@H](C)O)CC2)cc1 ZINC000842224674 617267638 /nfs/dbraw/zinc/26/76/38/617267638.db2.gz HCQQYSFDKPYBBK-MLGOLLRUSA-N 1 0 294.395 0.995 20 10 CCCDRO COc1ccc(N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000043801909 617267886 /nfs/dbraw/zinc/26/78/86/617267886.db2.gz MNLDUIWNYIVIRV-INIZCTEOSA-N 1 0 291.395 0.806 20 10 CCCDRO COc1cccc(C[N@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000862426513 617296721 /nfs/dbraw/zinc/29/67/21/617296721.db2.gz HXWAPQQQBUAMDI-CQSZACIVSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1cccc(C[N@H+](C[C@@H](O)CO)C(C)C)c1O ZINC000817417835 617296795 /nfs/dbraw/zinc/29/67/95/617296795.db2.gz RYRCSQQNOTUXTL-GFCCVEGCSA-N 1 0 269.341 0.964 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842228681 614585825 /nfs/dbraw/zinc/58/58/25/614585825.db2.gz CGLKWWLUTWVIKG-LLVKDONJSA-N 1 0 293.367 0.594 20 10 CCCDRO CCN(C)c1ccc(Cn2cc([C@H]([NH3+])CO)nn2)cc1 ZINC000881314054 614921300 /nfs/dbraw/zinc/92/13/00/614921300.db2.gz ZOZKKZVVVFFJGF-CYBMUJFWSA-N 1 0 275.356 0.775 20 10 CCCDRO CCN(C)c1ccc(Cn2cc(C[C@H]([NH3+])CO)nn2)cc1 ZINC000881313520 614921385 /nfs/dbraw/zinc/92/13/85/614921385.db2.gz MRCCMEVCGJKNKX-ZDUSSCGKSA-N 1 0 289.383 0.645 20 10 CCCDRO CCON(C)C(=O)C[NH2+]Cc1cc(OC)ccc1O ZINC000846065416 615336610 /nfs/dbraw/zinc/33/66/10/615336610.db2.gz QNOKIXNEOXCMFI-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CCNC(=O)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297788 615457879 /nfs/dbraw/zinc/45/78/79/615457879.db2.gz LFCUJNNKZNDELT-ZDUSSCGKSA-N 1 0 292.383 0.395 20 10 CCCDRO CCOc1ccc(C[NH2+]CCN2CCNC2=O)c(O)c1 ZINC000886324259 615511058 /nfs/dbraw/zinc/51/10/58/615511058.db2.gz FLJLTOQNRXGKCU-UHFFFAOYSA-N 1 0 279.340 0.906 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@H](O)COC)c(O)c1 ZINC000801734081 615511066 /nfs/dbraw/zinc/51/10/66/615511066.db2.gz UGMXOJJVOWIDLE-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764347 615512166 /nfs/dbraw/zinc/51/21/66/615512166.db2.gz BHGVHXTULHQWIW-BETUJISGSA-N 1 0 281.352 0.824 20 10 CCCDRO CCc1cccc(C[NH2+]CCCS(=O)(=O)NC)c1O ZINC000877689829 615683258 /nfs/dbraw/zinc/68/32/58/615683258.db2.gz SIIBYXCBZKKCQI-UHFFFAOYSA-N 1 0 286.397 0.984 20 10 CCCDRO CN(C)c1ccc(CNc2nc(N)[nH+]c(N)n2)cc1F ZINC000858373436 616015870 /nfs/dbraw/zinc/01/58/70/616015870.db2.gz GFQHTHDFXRHJED-UHFFFAOYSA-N 1 0 277.307 0.853 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1F ZINC000863485956 616015923 /nfs/dbraw/zinc/01/59/23/616015923.db2.gz SXCCTBLQQVIWFE-GFCCVEGCSA-N 1 0 267.348 0.970 20 10 CCCDRO CN(C)c1ccc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)cc1 ZINC000881270891 616015972 /nfs/dbraw/zinc/01/59/72/616015972.db2.gz DNBWYHHYIUGAIT-OAHLLOKOSA-N 1 0 289.383 0.645 20 10 CCCDRO CN(C)c1ccc([C@@H](CN2C(=O)CNC2=O)[NH+](C)C)cc1 ZINC000900185578 616019093 /nfs/dbraw/zinc/01/90/93/616019093.db2.gz OUVJOPUPMXRPRF-CYBMUJFWSA-N 1 0 290.367 0.907 20 10 CCCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](CO)C1 ZINC000877644047 616245044 /nfs/dbraw/zinc/24/50/44/616245044.db2.gz LEZNDWGZPJPJRL-LLVKDONJSA-N 1 0 280.324 0.229 20 10 CCCDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000906784536 616408815 /nfs/dbraw/zinc/40/88/15/616408815.db2.gz CJHJBLDXUYOCGU-NSHDSACASA-N 1 0 262.313 0.028 20 10 CCCDRO COCC[C@H]([NH3+])Cc1cn(-c2ccc(N)cc2)nn1 ZINC000864619215 616681018 /nfs/dbraw/zinc/68/10/18/616681018.db2.gz BEZVUCFXVSFUOZ-NSHDSACASA-N 1 0 261.329 0.756 20 10 CCCDRO COC[C@]1(CNC(=O)Cc2ccc(N)cc2)CCC[NH2+]1 ZINC000834764404 616874851 /nfs/dbraw/zinc/87/48/51/616874851.db2.gz LPNCTIQOJHKDTI-OAHLLOKOSA-N 1 0 277.368 0.696 20 10 CCCDRO C[NH2+]CCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844225823 616943287 /nfs/dbraw/zinc/94/32/87/616943287.db2.gz HBSZGCBXTJVNDQ-UHFFFAOYSA-N 1 0 292.427 0.910 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(OC)ccc1O ZINC000877688924 617012694 /nfs/dbraw/zinc/01/26/94/617012694.db2.gz JTBFYHSMTCTHKX-UHFFFAOYSA-N 1 0 288.369 0.430 20 10 CCCDRO COC[C@@]1(CNC(=O)NCc2ccccc2O)CCC[NH2+]1 ZINC000841996236 617045175 /nfs/dbraw/zinc/04/51/75/617045175.db2.gz VGSKBAQUOGDJRN-HNNXBMFYSA-N 1 0 293.367 0.960 20 10 CCCDRO NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O ZINC000895367589 632069291 /nfs/dbraw/zinc/06/92/91/632069291.db2.gz FMLADFZZDGTRNP-ZJUUUORDSA-N 1 0 270.716 0.466 20 10 CCCDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000895771304 632152107 /nfs/dbraw/zinc/15/21/07/632152107.db2.gz JRZRVKUUBFVIIT-CYBMUJFWSA-N 1 0 294.326 0.916 20 10 CCCDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000897058764 632383976 /nfs/dbraw/zinc/38/39/76/632383976.db2.gz RYSVEGPGXGWZLE-JTQLQIEISA-N 1 0 270.354 0.503 20 10 CCCDRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1Cc2cccc(O)c2C1 ZINC000899172670 633751116 /nfs/dbraw/zinc/75/11/16/633751116.db2.gz FUXUYECRSPNOGL-ZDUSSCGKSA-N 1 0 288.347 0.955 20 10 CCCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000922820863 639801322 /nfs/dbraw/zinc/80/13/22/639801322.db2.gz GSWKRJIRYVMMKT-QMMMGPOBSA-N 1 0 293.772 0.541 20 10 CCCDRO Nc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000832244758 642465431 /nfs/dbraw/zinc/46/54/31/642465431.db2.gz UNZARQLYMHBBGH-LBPRGKRZSA-N 1 0 276.340 0.466 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000840953733 642799368 /nfs/dbraw/zinc/79/93/68/642799368.db2.gz XWMVHQQCTDAGOC-HNNXBMFYSA-N 1 0 289.383 0.803 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1nnnn1C ZINC000840937759 642799642 /nfs/dbraw/zinc/79/96/42/642799642.db2.gz XJBGOFUACYUFIO-UHFFFAOYSA-N 1 0 274.372 0.917 20 10 CCCDRO Cc1cccc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846011615 643371463 /nfs/dbraw/zinc/37/14/63/643371463.db2.gz PMNLAAARPGFWTF-UHFFFAOYSA-N 1 0 291.395 0.906 20 10 CCCDRO Nc1ccc(CC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000851648648 643863898 /nfs/dbraw/zinc/86/38/98/643863898.db2.gz MKHRHRVBDAEOEK-VXGBXAGGSA-N 1 0 251.305 0.709 20 10 CCCDRO C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1O ZINC000870988383 646074144 /nfs/dbraw/zinc/07/41/44/646074144.db2.gz OCFSGVKGTLCZIM-GHMZBOCLSA-N 1 0 264.325 0.948 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000876767470 646660880 /nfs/dbraw/zinc/66/08/80/646660880.db2.gz KFLCIMLNYIKQSX-UONOGXRCSA-N 1 0 277.368 0.793 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000877584507 646825851 /nfs/dbraw/zinc/82/58/51/646825851.db2.gz GKRZZYNLLHVDJE-NSHDSACASA-N 1 0 262.313 0.443 20 10 CCCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000877609196 646828069 /nfs/dbraw/zinc/82/80/69/646828069.db2.gz BCSPPNMTOCMLTD-NSHDSACASA-N 1 0 284.381 0.824 20 10 CCCDRO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)c(O)c1 ZINC000877644712 646831742 /nfs/dbraw/zinc/83/17/42/646831742.db2.gz QXLUKTCGVQKKSC-ZDUSSCGKSA-N 1 0 250.342 0.809 20 10 CCCDRO C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccccc1O ZINC000879650241 647090250 /nfs/dbraw/zinc/09/02/50/647090250.db2.gz RFCHJIANXHPMFV-SNVBAGLBSA-N 1 0 277.324 0.937 20 10 CCCDRO OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929969756 648808326 /nfs/dbraw/zinc/80/83/26/648808326.db2.gz DADYPCWETODBGW-KBPBESRZSA-N 1 0 281.352 0.726 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccccc1O ZINC000931558637 649004805 /nfs/dbraw/zinc/00/48/05/649004805.db2.gz WBFQRLWCUIINFK-SLEUVZQESA-N 1 0 281.352 0.945 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001232260534 805915332 /nfs/dbraw/zinc/91/53/32/805915332.db2.gz RFUQOVIEOAQKNA-MWLCHTKSSA-N 1 0 287.743 0.926 20 10 CCCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001232838884 805985636 /nfs/dbraw/zinc/98/56/36/805985636.db2.gz NOBIRLUJYOMOJZ-ZBFHGGJFSA-N 1 0 291.395 0.973 20 10 CCCDRO CC[NH+]1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010828 806005482 /nfs/dbraw/zinc/00/54/82/806005482.db2.gz VCTFUUUPDPGNQA-UHFFFAOYSA-N 1 0 252.314 0.941 20 10 CCCDRO Oc1ccc(F)c(F)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234991067 806338383 /nfs/dbraw/zinc/33/83/83/806338383.db2.gz PKLFTPQVVDRXSW-CQSZACIVSA-N 1 0 283.322 0.808 20 10 CCCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(O)c(O)cc1O)C2 ZINC001235988979 806522361 /nfs/dbraw/zinc/52/23/61/806522361.db2.gz JBJYAURDFQNUEA-RNCFNFMXSA-N 1 0 250.298 0.727 20 10 CCCDRO CCOc1cccc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)OC)c1O ZINC001236194913 806547805 /nfs/dbraw/zinc/54/78/05/806547805.db2.gz GDOWPKJXPXYYLF-RYUDHWBXSA-N 1 0 294.351 0.866 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(C)cc(OC)cc1O ZINC001236200216 806552742 /nfs/dbraw/zinc/55/27/42/806552742.db2.gz IIPUESUJWBJQEM-GWCFXTLKSA-N 1 0 294.351 0.784 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236282210 806558174 /nfs/dbraw/zinc/55/81/74/806558174.db2.gz BZFXEIIQVYNORQ-ZBFHGGJFSA-N 1 0 273.380 0.927 20 10 CCCDRO CCOc1cccc(CN2C[C@H]([NH3+])[C@H](C(=O)OC)C2)c1O ZINC001236343416 806573669 /nfs/dbraw/zinc/57/36/69/806573669.db2.gz PKTHXTMWRNEIMO-NEPJUHHUSA-N 1 0 294.351 0.723 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)ccc2O)C[C@@H]1[NH3+] ZINC001236342998 806573795 /nfs/dbraw/zinc/57/37/95/806573795.db2.gz OFVDVBKAIAICAU-RYUDHWBXSA-N 1 0 280.324 0.333 20 10 CCCDRO COc1cc(C)c(C[N@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001236810023 806612387 /nfs/dbraw/zinc/61/23/87/806612387.db2.gz UMAILBHBIGHJJW-SNVBAGLBSA-N 1 0 255.314 0.494 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237669816 806708879 /nfs/dbraw/zinc/70/88/79/806708879.db2.gz OMOADFDEALUTME-WCQYABFASA-N 1 0 297.351 0.585 20 10 CCCDRO [NH3+]CCS(=O)(=O)Nc1cc(F)c(O)cc1F ZINC001237705701 806712848 /nfs/dbraw/zinc/71/28/48/806712848.db2.gz GXASOKAHKINGAR-UHFFFAOYSA-N 1 0 252.242 0.371 20 10 CCCDRO CN(C(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1ccc(N)cc1 ZINC001122174525 799161336 /nfs/dbraw/zinc/16/13/36/799161336.db2.gz QGALUFSZZOJCIZ-ABAIWWIYSA-N 1 0 275.352 0.858 20 10 CCCDRO COc1cc(CN2CC(CO)C2)cc(C[NH+](C)C)c1O ZINC001139257261 799800681 /nfs/dbraw/zinc/80/06/81/799800681.db2.gz WHIPNLSONLTURU-UHFFFAOYSA-N 1 0 280.368 0.887 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001140743874 799938024 /nfs/dbraw/zinc/93/80/24/799938024.db2.gz CLVCFCZTNYERAH-AAEUAGOBSA-N 1 0 267.325 0.581 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001140744316 799938308 /nfs/dbraw/zinc/93/83/08/799938308.db2.gz TYTZEYLMLXLOJJ-CMPLNLGQSA-N 1 0 253.298 0.191 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001140958163 799965309 /nfs/dbraw/zinc/96/53/09/799965309.db2.gz SXBVYXUDSGDZJG-CYBMUJFWSA-N 1 0 276.336 0.744 20 10 CCCDRO CC(C)(O)C[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162710 799986301 /nfs/dbraw/zinc/98/63/01/799986301.db2.gz APIUKVPSVILXSN-UHFFFAOYSA-N 1 0 280.368 0.986 20 10 CCCDRO [NH3+]CCS(=O)(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001239114991 806852487 /nfs/dbraw/zinc/85/24/87/806852487.db2.gz RQCFJOMWILINNH-UHFFFAOYSA-N 1 0 286.353 0.135 20 10 CCCDRO Oc1cc(O)c(CCNc2ncc3c(n2)C[NH2+]C3)cc1O ZINC001157245759 801331603 /nfs/dbraw/zinc/33/16/03/801331603.db2.gz MFAMSVLHFDYIOK-UHFFFAOYSA-N 1 0 288.307 0.851 20 10 CCCDRO C[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)C[C@@H]1[NH3+] ZINC001157794605 801487570 /nfs/dbraw/zinc/48/75/70/801487570.db2.gz ZOLWVLWTJWUEFV-SFYZADRCSA-N 1 0 287.410 0.042 20 10 CCCDRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCc2cccc(O)c2C1 ZINC001160872309 802036901 /nfs/dbraw/zinc/03/69/01/802036901.db2.gz JAWJXNUWOIUVEN-FPMFFAJLSA-N 1 0 287.363 0.227 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001161134820 802097641 /nfs/dbraw/zinc/09/76/41/802097641.db2.gz PDGLNIQFWFJWOA-CABCVRRESA-N 1 0 291.395 0.681 20 10 CCCDRO COCCOc1ccc(N(CC[NH3+])CCO)cc1 ZINC001163836465 802622652 /nfs/dbraw/zinc/62/26/52/802622652.db2.gz DDHWOIWLFGTUHO-UHFFFAOYSA-N 1 0 254.330 0.469 20 10 CCCDRO COC(=O)/C=C\c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163839226 802623873 /nfs/dbraw/zinc/62/38/73/802623873.db2.gz FYAFHTLQULSUFV-DAXSKMNVSA-N 1 0 264.325 0.630 20 10 CCCDRO COc1cc(N2CC[C@@H]([NH3+])C2)c2c(c1OC)C(=O)NC2 ZINC001164288133 802708402 /nfs/dbraw/zinc/70/84/02/802708402.db2.gz MRGQYNBIDRNFHT-MRVPVSSYSA-N 1 0 277.324 0.485 20 10 CCCDRO COC(=O)C1(O)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203601970 803037876 /nfs/dbraw/zinc/03/78/76/803037876.db2.gz UMPYRCFARNKBJB-UHFFFAOYSA-N 1 0 295.335 0.901 20 10 CCCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634344 803039564 /nfs/dbraw/zinc/03/95/64/803039564.db2.gz AFOQUMZXKJVSRL-UHFFFAOYSA-N 1 0 295.335 0.901 20 10 CCCDRO COc1cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc(O)c1O ZINC001206086305 803203770 /nfs/dbraw/zinc/20/37/70/803203770.db2.gz BWGNBSXPSNVBLU-NXEZZACHSA-N 1 0 268.313 0.000 20 10 CCCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001219656922 804395792 /nfs/dbraw/zinc/39/57/92/804395792.db2.gz FHGOFYNZTHGZMB-DTWKUNHWSA-N 1 0 280.324 0.779 20 10 CCCDRO CCOC(=O)C1=C(NC(=O)c2cccc(O)c2O)C[NH2+]C1 ZINC001220834191 804678322 /nfs/dbraw/zinc/67/83/22/804678322.db2.gz MNEASJCMKNXHQC-UHFFFAOYSA-N 1 0 292.291 0.248 20 10 CCCDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC001277014625 805100164 /nfs/dbraw/zinc/10/01/64/805100164.db2.gz VFNVPADNZKMRSF-DOMZBBRYSA-N 1 0 276.336 0.977 20 10 CCCDRO CC(C)OC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252694979 807943838 /nfs/dbraw/zinc/94/38/38/807943838.db2.gz PCYNGTYOLPHUSY-NSHDSACASA-N 1 0 255.314 0.973 20 10 CCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001261838114 809104004 /nfs/dbraw/zinc/10/40/04/809104004.db2.gz XGFLKSINAUEJGO-JTQLQIEISA-N 1 0 279.340 0.156 20 10 CCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001261838115 809104512 /nfs/dbraw/zinc/10/45/12/809104512.db2.gz XGFLKSINAUEJGO-SNVBAGLBSA-N 1 0 279.340 0.156 20 10 CCCDRO C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)c1ccccc1O ZINC001263175703 809471635 /nfs/dbraw/zinc/47/16/35/809471635.db2.gz JSGASLXPLOMEJY-RULNRJAQSA-N 1 0 264.325 0.682 20 10 CCCDRO C[C@@H](NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)c1ccccc1O ZINC001263175700 809471709 /nfs/dbraw/zinc/47/17/09/809471709.db2.gz JSGASLXPLOMEJY-BFVZDQMLSA-N 1 0 264.325 0.682 20 10 CCCDRO C[NH+](C)CC[C@@H](N)C(=O)NCc1c(O)cccc1F ZINC001263200041 809478799 /nfs/dbraw/zinc/47/87/99/809478799.db2.gz YPOPLMRWQRKSLW-LLVKDONJSA-N 1 0 269.320 0.427 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1O ZINC001236052713 817041857 /nfs/dbraw/zinc/04/18/57/817041857.db2.gz DFQMPJRXWVVSJX-NSHDSACASA-N 1 0 284.743 0.992 20 10 CCCDRO CC(C)N1CCN(Cc2c(O)cc(O)cc2O)CC1=O ZINC001144515183 840074270 /nfs/dbraw/zinc/07/42/70/840074270.db2.gz HBZXGQSUIYWGJT-UHFFFAOYSA-N 1 0 280.324 0.856 20 10 CCCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515594 840074370 /nfs/dbraw/zinc/07/43/70/840074370.db2.gz CGJYIPAKSVOFAP-VIFPVBQESA-N 1 0 295.339 0.697 20 10 CCCDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000714252188 841189701 /nfs/dbraw/zinc/18/97/01/841189701.db2.gz XGFZQMJNKHDEHV-MGCOHNPYSA-N 1 0 299.348 0.786 20 10 CCCDRO COc1cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc(O)c1O ZINC001206414963 843139535 /nfs/dbraw/zinc/13/95/35/843139535.db2.gz SIOCQMZLMIWOCU-NXEZZACHSA-N 1 0 270.304 0.978 20 10 CCCDRO NC(=O)[C@H]1C[NH+](Cc2ccc(Cl)cc2O)C[C@@H]1C(N)=O ZINC001183102590 843966580 /nfs/dbraw/zinc/96/65/80/843966580.db2.gz DCRNTHZDOAORJM-UWVGGRQHSA-N 1 0 297.742 0.064 20 10 CCCDRO COc1cc(CN2CC3(CC[N@@H+]3C)C2)cc(O)c1O ZINC001275962722 848874366 /nfs/dbraw/zinc/87/43/66/848874366.db2.gz IXKUYGJSMDHDQQ-UHFFFAOYSA-N 1 0 264.325 0.996 20 10 CCCDRO O=S1(=O)CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001254318364 852521991 /nfs/dbraw/zinc/52/19/91/852521991.db2.gz YOLRSPVKASZOPU-JTQLQIEISA-N 1 0 271.338 0.417 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CCC(OCC(N)=O)CC2)c1 ZINC001319935806 910360838 /nfs/dbraw/zinc/36/08/38/910360838.db2.gz YGSYDXSEBOCHSR-UHFFFAOYSA-N 1 0 294.351 0.867 20 10 CCCDRO Cc1cc(O)c(C[N@H+](C)CCNS(C)(=O)=O)cc1C ZINC001339017529 921626585 /nfs/dbraw/zinc/62/65/85/921626585.db2.gz NDOAXJZKTFFPGO-UHFFFAOYSA-N 1 0 286.397 0.990 20 10 CCCDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331193473 917171582 /nfs/dbraw/zinc/17/15/82/917171582.db2.gz VLVWTFJBIYZYDP-JTQLQIEISA-N 1 0 291.351 0.349 20 10 CCCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)CO)cc1F ZINC001331277002 917238492 /nfs/dbraw/zinc/23/84/92/917238492.db2.gz DRGMPLOVYPVWLG-VIFPVBQESA-N 1 0 260.284 0.474 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001332237085 917980307 /nfs/dbraw/zinc/98/03/07/917980307.db2.gz HPVYURBFLBGCNK-FPMFFAJLSA-N 1 0 259.353 0.977 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@]2(C)CCNC2=O)cc1OC ZINC001333825843 919191913 /nfs/dbraw/zinc/19/19/13/919191913.db2.gz IVXWMXGTHPLQAI-CQSZACIVSA-N 1 0 280.324 0.778 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001339973934 921899699 /nfs/dbraw/zinc/89/96/99/921899699.db2.gz JRWPXGRDRGOZMP-BXUZGUMPSA-N 1 0 264.325 0.464 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccccc1O ZINC001340340646 922059265 /nfs/dbraw/zinc/05/92/65/922059265.db2.gz OLQQLUPOCZVXDY-JOYOIKCWSA-N 1 0 252.314 0.225 20 10 CCCDRO C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1O ZINC001348777575 924802082 /nfs/dbraw/zinc/80/20/82/924802082.db2.gz VKEILDORCGALIB-CMPLNLGQSA-N 1 0 291.351 0.438 20 10 CCCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC001350315519 925169383 /nfs/dbraw/zinc/16/93/83/925169383.db2.gz DYUKJEIXONVHGE-UWVGGRQHSA-N 1 0 259.252 0.598 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001357497850 926551043 /nfs/dbraw/zinc/55/10/43/926551043.db2.gz GLKMXWMZAIFUKB-BFVZDQMLSA-N 1 0 296.367 0.794 20 10 CCCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000093583920 349546865 /nfs/dbraw/zinc/54/68/65/349546865.db2.gz YNADWSFWEQXHJA-OAHLLOKOSA-N 1 0 294.395 0.826 20 10 CCCDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000187021130 351526234 /nfs/dbraw/zinc/52/62/34/351526234.db2.gz JWJSRBLLAFRKTF-VIFPVBQESA-N 1 0 250.298 0.922 20 10 CCCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269230235 352830325 /nfs/dbraw/zinc/83/03/25/352830325.db2.gz CDAVQVRHHBGGHL-HUUCEWRRSA-N 1 0 289.379 0.626 20 10 CCCDRO NC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271206856 353032518 /nfs/dbraw/zinc/03/25/18/353032518.db2.gz YOYHMKLSEINMQQ-UHFFFAOYSA-N 1 0 293.323 0.707 20 10 CCCDRO Cc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1O ZINC000271879206 353034067 /nfs/dbraw/zinc/03/40/67/353034067.db2.gz USHPCUCZENTNFW-GFCCVEGCSA-N 1 0 278.352 0.726 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(OC)ccc1O ZINC000271752055 353034530 /nfs/dbraw/zinc/03/45/30/353034530.db2.gz VXQNWPUODSODHZ-PWSUYJOCSA-N 1 0 281.308 0.509 20 10 CCCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NCCF ZINC000282650631 353442581 /nfs/dbraw/zinc/44/25/81/353442581.db2.gz LDLDYYWKAPLNNT-QMMMGPOBSA-N 1 0 284.287 0.685 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)CCOCCO)c1 ZINC000282682583 353444555 /nfs/dbraw/zinc/44/45/55/353444555.db2.gz IKMRVFLDAGIZPG-UHFFFAOYSA-N 1 0 255.314 0.842 20 10 CCCDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179577659 389660664 /nfs/dbraw/zinc/66/06/64/389660664.db2.gz UIGFVGNELOJENW-NSHDSACASA-N 1 0 270.354 0.516 20 10 CCCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157907972 261155475 /nfs/dbraw/zinc/15/54/75/261155475.db2.gz LSAAROXXTWDCJG-LLVKDONJSA-N 1 0 264.325 0.851 20 10 CCCDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000276466224 328218676 /nfs/dbraw/zinc/21/86/76/328218676.db2.gz MDNQBIARYYZYNO-SSDOTTSWSA-N 1 0 283.715 0.765 20 10 CCCDRO C[NH+]1CCC(O)(CNC(=O)c2cccc(O)c2O)CC1 ZINC000279416954 327552401 /nfs/dbraw/zinc/55/24/01/327552401.db2.gz XUTXJCPQTCSZAH-UHFFFAOYSA-N 1 0 280.324 0.284 20 10 CCCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278468300 521874998 /nfs/dbraw/zinc/87/49/98/521874998.db2.gz GOBHYBAGCWUQRM-UWVGGRQHSA-N 1 0 298.295 0.237 20 10 CCCDRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855887 524818524 /nfs/dbraw/zinc/81/85/24/524818524.db2.gz MUNDELMPBLIOFL-LBPRGKRZSA-N 1 0 277.368 0.829 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000044797098 536687473 /nfs/dbraw/zinc/68/74/73/536687473.db2.gz DHSMVQVJDJHZQU-GFCCVEGCSA-N 1 0 277.368 0.939 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000781050188 581257962 /nfs/dbraw/zinc/25/79/62/581257962.db2.gz VMSRVSBXFMYNGA-UHFFFAOYSA-N 1 0 279.340 0.131 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1c(O)cccc1OC ZINC000769318411 581683526 /nfs/dbraw/zinc/68/35/26/581683526.db2.gz ZHAJAEJSDLABCZ-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO COc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000769565443 581696247 /nfs/dbraw/zinc/69/62/47/581696247.db2.gz WRGVZWPAABIOLW-PHIMTYICSA-N 1 0 253.298 0.328 20 10 CCCDRO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769565444 581696402 /nfs/dbraw/zinc/69/64/02/581696402.db2.gz WRZRBLZRRYXFIO-OKILXGFUSA-N 1 0 250.342 0.680 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnnn2C)c1 ZINC000756678787 581933500 /nfs/dbraw/zinc/93/35/00/581933500.db2.gz YHYKFBFJGVTIOS-SECBINFHSA-N 1 0 277.328 0.818 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000762570208 581951646 /nfs/dbraw/zinc/95/16/46/581951646.db2.gz YYQTUZWJLAOTGV-OAHLLOKOSA-N 1 0 280.368 0.947 20 10 CCCDRO COc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000775735322 582035719 /nfs/dbraw/zinc/03/57/19/582035719.db2.gz MKLWSDMMBVIVEB-PHIMTYICSA-N 1 0 253.298 0.328 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCNS(C)(=O)=O)c1O ZINC000894137406 617175707 /nfs/dbraw/zinc/17/57/07/617175707.db2.gz PKJGCAXZQJRLPU-UHFFFAOYSA-N 1 0 288.369 0.348 20 10 CCCDRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203159 617176220 /nfs/dbraw/zinc/17/62/20/617176220.db2.gz PXRKJGMTEBQUSM-GHMZBOCLSA-N 1 0 292.383 0.393 20 10 CCCDRO COc1cc(O)c(CN[C@@H]2CC[NH2+]C2)cc1OC ZINC000863488731 617207809 /nfs/dbraw/zinc/20/78/09/617207809.db2.gz COGUNPBYYVYLJD-SNVBAGLBSA-N 1 0 252.314 0.861 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])C2)cc1OC ZINC000843044748 617207827 /nfs/dbraw/zinc/20/78/27/617207827.db2.gz HRQDIVAHNAKKHN-SNVBAGLBSA-N 1 0 252.314 0.942 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)c(O)c1 ZINC000841966741 617254560 /nfs/dbraw/zinc/25/45/60/617254560.db2.gz YKPHXEPYUBBJDM-GFCCVEGCSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c(O)c1 ZINC000907925508 617256150 /nfs/dbraw/zinc/25/61/50/617256150.db2.gz HYDXESIZSSRVEJ-IAQYHMDHSA-N 1 0 294.351 0.472 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C[NH3+])C2)cc1 ZINC000851639376 617267914 /nfs/dbraw/zinc/26/79/14/617267914.db2.gz DTBMRTMODGYPOT-VXGBXAGGSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)C3([NH3+])CC3)C2)cc1 ZINC000851639357 617267958 /nfs/dbraw/zinc/26/79/58/617267958.db2.gz DNUHXAKDWCPWQE-LLVKDONJSA-N 1 0 275.352 0.881 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000866420316 617273881 /nfs/dbraw/zinc/27/38/81/617273881.db2.gz ODHFHIAFGNOKIT-DYLAAIIWSA-N 1 0 253.298 0.811 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@H]([NH3+])C2CC2)c1O ZINC000841965154 617299010 /nfs/dbraw/zinc/29/90/10/617299010.db2.gz CQHNFKGJJPLUCK-NSHDSACASA-N 1 0 279.340 0.937 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCNC1=O ZINC000824667274 617305511 /nfs/dbraw/zinc/30/55/11/617305511.db2.gz VJGDYQVEEDHXOP-JTQLQIEISA-N 1 0 250.298 0.769 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@H](C)C(=O)NCCF ZINC000800292972 617305615 /nfs/dbraw/zinc/30/56/15/617305615.db2.gz ZTGVPDBOVWNIRT-SECBINFHSA-N 1 0 270.304 0.965 20 10 CCCDRO CCN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839171598 614921223 /nfs/dbraw/zinc/92/12/23/614921223.db2.gz HWYQVHCMWRBTSR-UKRRQHHQSA-N 1 0 264.369 0.928 20 10 CCCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957940 615325848 /nfs/dbraw/zinc/32/58/48/615325848.db2.gz RDLMMJYZNCHCQB-UONOGXRCSA-N 1 0 277.368 0.695 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@](O)(C(=O)OC)C2)c(O)c1 ZINC000895707079 615510661 /nfs/dbraw/zinc/51/06/61/615510661.db2.gz IMDHRJFEEVZTLC-OAHLLOKOSA-N 1 0 295.335 0.901 20 10 CCCDRO CCOc1ccc(O)c(CN2CCN(C)C[C@H]2C[NH3+])c1 ZINC000843120615 615512044 /nfs/dbraw/zinc/51/20/44/615512044.db2.gz RNBYURQZETYIEV-CYBMUJFWSA-N 1 0 279.384 0.866 20 10 CCCDRO CN(C)c1ccc(/C=C/CN2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000895371934 616011437 /nfs/dbraw/zinc/01/14/37/616011437.db2.gz ZSNBTGWBQXDBMO-RYIMYRPNSA-N 1 0 289.379 0.686 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCOC2)cc1 ZINC000832280165 616019723 /nfs/dbraw/zinc/01/97/23/616019723.db2.gz NNIRAYRNSCCSMS-TZMCWYRMSA-N 1 0 277.368 0.905 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCOC2)cc1 ZINC000832280160 616019792 /nfs/dbraw/zinc/01/97/92/616019792.db2.gz NNIRAYRNSCCSMS-GXTWGEPZSA-N 1 0 277.368 0.905 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN(C)CC[NH3+])cc1 ZINC000844227558 616084662 /nfs/dbraw/zinc/08/46/62/616084662.db2.gz ZHQNAOPRNOBMNR-UHFFFAOYSA-N 1 0 264.373 0.259 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N(C)CC[NH3+])cc1 ZINC000841654597 616084751 /nfs/dbraw/zinc/08/47/51/616084751.db2.gz NYHOXZIZGRXGPL-UHFFFAOYSA-N 1 0 250.346 0.853 20 10 CCCDRO CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CC[NH2+]C1 ZINC000843049607 616165150 /nfs/dbraw/zinc/16/51/50/616165150.db2.gz SRRZSPJPALWNSI-SNVBAGLBSA-N 1 0 250.298 0.915 20 10 CCCDRO 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20 10 CCCDRO COc1c(O)c(C[NH2+]Cc2cnnn2C)ccc1[N+](=O)[O-] ZINC000809784704 617149335 /nfs/dbraw/zinc/14/93/35/617149335.db2.gz YDRSXQDMLHCUFP-UHFFFAOYSA-N 1 0 293.283 0.727 20 10 CCCDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000892185066 622652214 /nfs/dbraw/zinc/65/22/14/622652214.db2.gz YVKSQYWWLLVNIT-QWRGUYRKSA-N 1 0 279.340 0.741 20 10 CCCDRO COc1ccc(N2CCN(C(=O)COCC[NH3+])CC2)cc1 ZINC000093230528 625824245 /nfs/dbraw/zinc/82/42/45/625824245.db2.gz GEVZWPRMVUWNRS-UHFFFAOYSA-N 1 0 293.367 0.319 20 10 CCCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CNOC1 ZINC000904428437 634746527 /nfs/dbraw/zinc/74/65/27/634746527.db2.gz KXCJCFMTOCLOHM-ZDUSSCGKSA-N 1 0 263.341 0.516 20 10 CCCDRO CC(C)([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236801027 631039972 /nfs/dbraw/zinc/03/99/72/631039972.db2.gz BRXBCRDNJHJASJ-UHFFFAOYSA-N 1 0 277.368 0.877 20 10 CCCDRO O=C1NC(=S)NC(=O)C1=CNNc1cccc[nH+]1 ZINC000029003926 636630467 /nfs/dbraw/zinc/63/04/67/636630467.db2.gz CEPPARVRSBMSBA-UHFFFAOYSA-N 1 0 263.282 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COC(=O)[C@@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500043 840066883 /nfs/dbraw/zinc/06/68/83/840066883.db2.gz NTDVYKVEMZVWOI-CYBMUJFWSA-N 1 0 285.271 0.890 20 10 CCCDRO COC(=O)[C@@H]1CCN1Cc1c(O)cc(O)cc1O ZINC001144503732 840068229 /nfs/dbraw/zinc/06/82/29/840068229.db2.gz BHSBACKCGLTTIJ-VIFPVBQESA-N 1 0 253.254 0.551 20 10 CCCDRO C[NH+](C)C[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144503675 840068435 /nfs/dbraw/zinc/06/84/35/840068435.db2.gz AGMKEFLRKGRJMY-LLVKDONJSA-N 1 0 282.340 0.566 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001205363929 844586037 /nfs/dbraw/zinc/58/60/37/844586037.db2.gz UZBHRGSZQRDFLX-LDYMZIIASA-N 1 0 258.705 0.255 20 10 CCCDRO CN(C)C(=O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000037207321 841641203 /nfs/dbraw/zinc/64/12/03/841641203.db2.gz TUAFQVRQCLVIGJ-UHFFFAOYSA-N 1 0 277.368 0.701 20 10 CCCDRO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000037241482 841648502 /nfs/dbraw/zinc/64/85/02/841648502.db2.gz ZLRHUDZHLWMLFA-LLVKDONJSA-N 1 0 285.413 0.952 20 10 CCCDRO C[NH+]1CCC(OCC(=O)NCc2cc(O)ccc2O)CC1 ZINC001176754829 842409510 /nfs/dbraw/zinc/40/95/10/842409510.db2.gz HXCQFXDWIRTJEH-UHFFFAOYSA-N 1 0 294.351 0.825 20 10 CCCDRO COc1cc(CN2C[C@H]([NH3+])C[C@H](F)C2)cc(O)c1O ZINC001206414965 843139230 /nfs/dbraw/zinc/13/92/30/843139230.db2.gz SIOCQMZLMIWOCU-VHSXEESVSA-N 1 0 270.304 0.978 20 10 CCCDRO C[C@H](C(=O)NCCc1cc(O)c(O)cc1O)[NH+]1CCCC1 ZINC001180583080 843219056 /nfs/dbraw/zinc/21/90/56/843219056.db2.gz VJEWPOMCTJRFJQ-SNVBAGLBSA-N 1 0 294.351 0.946 20 10 CCCDRO CN(C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717350219 848236393 /nfs/dbraw/zinc/23/63/93/848236393.db2.gz AWHUKAHZXGJVKE-RYUDHWBXSA-N 1 0 250.342 0.892 20 10 CCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001275418978 848716289 /nfs/dbraw/zinc/71/62/89/848716289.db2.gz OFCSXCLPSQHEAM-OKILXGFUSA-N 1 0 291.395 0.918 20 10 CCCDRO COc1cc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)cc(O)c1O ZINC001193097149 900033631 /nfs/dbraw/zinc/03/36/31/900033631.db2.gz GAGIJHNQHSPKLL-JTQLQIEISA-N 1 0 278.308 0.637 20 10 CCCDRO COc1ccc(N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)cc1 ZINC001335414242 906760857 /nfs/dbraw/zinc/76/08/57/906760857.db2.gz WRAZCFIKHQLANA-LBPRGKRZSA-N 1 0 298.408 0.908 20 10 CCCDRO Nc1ccc(CCNC(=O)C[NH+]2CCC(CO)CC2)cc1 ZINC001339714729 921806207 /nfs/dbraw/zinc/80/62/07/921806207.db2.gz CPOSOADNRDTLLU-UHFFFAOYSA-N 1 0 291.395 0.632 20 10 CCCDRO Cn1cnnc1N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334754559 919743315 /nfs/dbraw/zinc/74/33/15/919743315.db2.gz OZNGMFHYCWFLAT-UHFFFAOYSA-N 1 0 272.356 0.720 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)c1ccc(N)cc1 ZINC001340847479 922240284 /nfs/dbraw/zinc/24/02/84/922240284.db2.gz KFDWDGYELKHCSA-SMDDNHRTSA-N 1 0 274.368 0.620 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)cc1F ZINC001341584044 922567208 /nfs/dbraw/zinc/56/72/08/922567208.db2.gz BVXBQDPXLOQNBQ-XHDPSFHLSA-N 1 0 295.358 0.621 20 10 CCCDRO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1O ZINC001348994399 924860994 /nfs/dbraw/zinc/86/09/94/924860994.db2.gz XNQGRODJTIIQIN-SCRDCRAPSA-N 1 0 289.379 0.958 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C)c1ccccc1O ZINC001348994401 924861741 /nfs/dbraw/zinc/86/17/41/924861741.db2.gz XNQGRODJTIIQIN-YRGRVCCFSA-N 1 0 289.379 0.958 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1cccc(O)c1O ZINC001349079852 924879883 /nfs/dbraw/zinc/87/98/83/924879883.db2.gz UHZXILJWYPVOMB-JQWIXIFHSA-N 1 0 291.351 0.102 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000187198360 351533949 /nfs/dbraw/zinc/53/39/49/351533949.db2.gz ZYOARTPYDCQZNS-VIFPVBQESA-N 1 0 288.369 0.601 20 10 CCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(O)c1O ZINC000188434923 351595122 /nfs/dbraw/zinc/59/51/22/351595122.db2.gz FRIHBECAUOFTEI-LLVKDONJSA-N 1 0 293.367 0.464 20 10 CCCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269230237 352829944 /nfs/dbraw/zinc/82/99/44/352829944.db2.gz CDAVQVRHHBGGHL-LSDHHAIUSA-N 1 0 289.379 0.626 20 10 CCCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000272893438 353104004 /nfs/dbraw/zinc/10/40/04/353104004.db2.gz ZPLYLXUBUYJHPP-NSHDSACASA-N 1 0 294.351 0.857 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000294736216 199158788 /nfs/dbraw/zinc/15/87/88/199158788.db2.gz GRWYHUGOPVNTKT-NSHDSACASA-N 1 0 253.298 0.594 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000092764681 389032465 /nfs/dbraw/zinc/03/24/65/389032465.db2.gz DJMUHFGIEUQQFG-VIFPVBQESA-N 1 0 251.282 0.935 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000179412595 389656260 /nfs/dbraw/zinc/65/62/60/389656260.db2.gz GRMXRBPKLMDCBB-UHFFFAOYSA-N 1 0 266.297 0.689 20 10 CCCDRO COc1ccc(O)c(CN2CCN(CC(N)=O)CC2)c1 ZINC000179638275 389661826 /nfs/dbraw/zinc/66/18/26/389661826.db2.gz FZFQFUUITGSVRH-UHFFFAOYSA-N 1 0 279.340 0.004 20 10 CCCDRO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020203325 171067498 /nfs/dbraw/zinc/06/74/98/171067498.db2.gz YJNKDACJSBQYOO-UHFFFAOYSA-N 1 0 278.761 0.684 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C[C@H]1COCC[NH2+]1 ZINC000129033918 260380764 /nfs/dbraw/zinc/38/07/64/260380764.db2.gz QYCRYFSDGDNZDZ-LBPRGKRZSA-N 1 0 264.325 0.729 20 10 CCCDRO CC[C@H]([NH2+]CCS(=O)(=O)NC)c1ccccc1O ZINC000187169326 288042218 /nfs/dbraw/zinc/04/22/18/288042218.db2.gz VDDKCBCOSLMYQS-NSHDSACASA-N 1 0 272.370 0.982 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1 ZINC000271866931 328198557 /nfs/dbraw/zinc/19/85/57/328198557.db2.gz VJXQFAJGHSTCIT-SECBINFHSA-N 1 0 293.323 0.603 20 10 CCCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224733349 521642998 /nfs/dbraw/zinc/64/29/98/521642998.db2.gz QTQCILQHXRELIE-UHFFFAOYSA-N 1 0 273.354 0.925 20 10 CCCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000083393593 520905937 /nfs/dbraw/zinc/90/59/37/520905937.db2.gz YSCIRPJFLFJIJN-AWEZNQCLSA-N 1 0 252.358 0.976 20 10 CCCDRO COC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000227706700 522679628 /nfs/dbraw/zinc/67/96/28/522679628.db2.gz AFYQBOHMOJEHHR-JTQLQIEISA-N 1 0 269.297 0.872 20 10 CCCDRO CO[C@H](C[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290029211 523930979 /nfs/dbraw/zinc/93/09/79/523930979.db2.gz RQYHUBCJVPDCGT-CQSZACIVSA-N 1 0 277.368 0.659 20 10 CCCDRO O=C(C[NH2+]Cc1cc2c(cc1O)OCO2)NC1CC1 ZINC000042879792 526882581 /nfs/dbraw/zinc/88/25/81/526882581.db2.gz SXNFFDGRVMRXHU-UHFFFAOYSA-N 1 0 264.281 0.489 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000726797688 581252636 /nfs/dbraw/zinc/25/26/36/581252636.db2.gz QEYPCVAPJDZXSG-SECBINFHSA-N 1 0 250.298 0.721 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000786825361 581450256 /nfs/dbraw/zinc/45/02/56/581450256.db2.gz UXMRYHNDZQCLOZ-UHFFFAOYSA-N 1 0 285.365 0.925 20 10 CCCDRO COc1cccc(O)c1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000769327863 581684173 /nfs/dbraw/zinc/68/41/73/581684173.db2.gz NFWYKYJHUKCVFB-GFCCVEGCSA-N 1 0 280.368 0.899 20 10 CCCDRO COc1cccc(O)c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769565459 581696525 /nfs/dbraw/zinc/69/65/25/581696525.db2.gz XGDUNECRLZVEKR-AOOOYVTPSA-N 1 0 253.298 0.328 20 10 CCCDRO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000769562773 581696630 /nfs/dbraw/zinc/69/66/30/581696630.db2.gz FFAPSSAVEKLANV-TXEJJXNPSA-N 1 0 267.325 0.718 20 10 CCCDRO CN1CC(=O)N[C@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771518604 581806330 /nfs/dbraw/zinc/80/63/30/581806330.db2.gz SJRPDDXAFODIQK-OAHLLOKOSA-N 1 0 274.368 0.499 20 10 CCCDRO COC[C@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732672697 581841181 /nfs/dbraw/zinc/84/11/81/581841181.db2.gz XRJOMYYSKPYIOF-CYBMUJFWSA-N 1 0 255.314 0.888 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000762570205 581951794 /nfs/dbraw/zinc/95/17/94/581951794.db2.gz YYQTUZWJLAOTGV-HNNXBMFYSA-N 1 0 280.368 0.947 20 10 CCCDRO CCNC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774847362 581999474 /nfs/dbraw/zinc/99/94/74/581999474.db2.gz XZWMRCMCTZWKDQ-UHFFFAOYSA-N 1 0 297.311 0.877 20 10 CCCDRO COc1c(O)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914217 582002328 /nfs/dbraw/zinc/00/23/28/582002328.db2.gz MICGFSKGMLMKOG-PHIMTYICSA-N 1 0 293.323 0.960 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCNC2=O)c1 ZINC000775369107 582021071 /nfs/dbraw/zinc/02/10/71/582021071.db2.gz JQCCYGNBBOOSAW-SECBINFHSA-N 1 0 293.323 0.603 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@H](C)CC(N)=O)cc1OC ZINC000776251310 582065786 /nfs/dbraw/zinc/06/57/86/582065786.db2.gz WGVPXTRDEGHXFP-QMMMGPOBSA-N 1 0 268.313 0.763 20 10 CCCDRO COCC[NH+](CCOC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441472 582106714 /nfs/dbraw/zinc/10/67/14/582106714.db2.gz LUMZUWXLZOGWBT-CQSZACIVSA-N 1 0 297.351 0.913 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1O ZINC000893870936 617176028 /nfs/dbraw/zinc/17/60/28/617176028.db2.gz GMWAVIPVMXCOPX-NSHDSACASA-N 1 0 285.365 0.986 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)c(O)c1 ZINC000841966742 617254595 /nfs/dbraw/zinc/25/45/95/617254595.db2.gz YKPHXEPYUBBJDM-LBPRGKRZSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1ccc(CNC(=O)NCC(C)(C)[NH3+])c(O)c1 ZINC000841949379 617254638 /nfs/dbraw/zinc/25/46/38/617254638.db2.gz CXUQZJKTPCICFW-UHFFFAOYSA-N 1 0 267.329 0.937 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(O)c1 ZINC000907925510 617255985 /nfs/dbraw/zinc/25/59/85/617255985.db2.gz HYDXESIZSSRVEJ-XHDPSFHLSA-N 1 0 294.351 0.472 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)c(O)c1 ZINC000876910986 617256726 /nfs/dbraw/zinc/25/67/26/617256726.db2.gz RSVANIXFZVCJJD-DOMZBBRYSA-N 1 0 294.351 0.784 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)[C@H](C)O)CC2)cc1 ZINC000865739366 617267646 /nfs/dbraw/zinc/26/76/46/617267646.db2.gz VDCWPDJKISILNC-BLLLJJGKSA-N 1 0 294.395 0.995 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN(CCO)C[C@H]2C)c1 ZINC000825338348 617272748 /nfs/dbraw/zinc/27/27/48/617272748.db2.gz OPHBJMPXWVZFLI-GFCCVEGCSA-N 1 0 280.368 0.899 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CNCCO2)c1 ZINC000841099632 617273245 /nfs/dbraw/zinc/27/32/45/617273245.db2.gz UJUGYOACGXKCRP-GFCCVEGCSA-N 1 0 252.314 0.479 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)c1O ZINC000925411005 617298596 /nfs/dbraw/zinc/29/85/96/617298596.db2.gz LZNPUSKIMKRIFU-NSHDSACASA-N 1 0 279.340 0.904 20 10 CCCDRO COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C)c1O ZINC000821065125 617298809 /nfs/dbraw/zinc/29/88/09/617298809.db2.gz LQRNWAZGIVRKRU-SECBINFHSA-N 1 0 252.314 0.967 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000839192911 617300470 /nfs/dbraw/zinc/30/04/70/617300470.db2.gz MHUBQXYRCPBHJP-CMPLNLGQSA-N 1 0 253.298 0.904 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418934 617305610 /nfs/dbraw/zinc/30/56/10/617305610.db2.gz LLITWRXMMDKGSG-JTQLQIEISA-N 1 0 289.339 0.882 20 10 CCCDRO CCN(CC[NH3+])CC(=O)NCc1ccc(N(C)C)cc1 ZINC000863551688 615047087 /nfs/dbraw/zinc/04/70/87/615047087.db2.gz PMYWZTHNWAZXAS-UHFFFAOYSA-N 1 0 278.400 0.649 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000877007988 615105059 /nfs/dbraw/zinc/10/50/59/615105059.db2.gz IZPBPUQQCPHAHR-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CCNC(=O)C1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839138063 615456180 /nfs/dbraw/zinc/45/61/80/615456180.db2.gz HYLKLCFWWGCEJF-UHFFFAOYSA-N 1 0 278.308 0.689 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000877748441 615510452 /nfs/dbraw/zinc/51/04/52/615510452.db2.gz BKOSCZGZCQJZAO-OCCSQVGLSA-N 1 0 267.325 0.718 20 10 CCCDRO CN(C(=O)[C@]1(C[NH3+])CCCOC1)c1ccc(N)cc1 ZINC000877074868 615891356 /nfs/dbraw/zinc/89/13/56/615891356.db2.gz ULPFXEWCEIXPSP-AWEZNQCLSA-N 1 0 263.341 0.987 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1F ZINC000877749539 616014246 /nfs/dbraw/zinc/01/42/46/616014246.db2.gz WNODZKLNLNTBBS-KGLIPLIRSA-N 1 0 268.332 0.819 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN(C)C2C[NH2+]C2)cc1 ZINC000844223608 616014438 /nfs/dbraw/zinc/01/44/38/616014438.db2.gz DAENXORVNXWAFT-UHFFFAOYSA-N 1 0 276.384 0.272 20 10 CCCDRO CN(C)c1ccc(CNc2nc(N)[nH+]c(N)n2)cc1 ZINC000858325252 616015904 /nfs/dbraw/zinc/01/59/04/616015904.db2.gz SCOBRXOWAPFMFJ-UHFFFAOYSA-N 1 0 259.317 0.714 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncccn2)cc1 ZINC000832272673 616019304 /nfs/dbraw/zinc/01/93/04/616019304.db2.gz IQUXBYPDAXRUPR-ZDUSSCGKSA-N 1 0 285.351 0.972 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnccn2)cc1 ZINC000832283877 616019679 /nfs/dbraw/zinc/01/96/79/616019679.db2.gz CSEMKVZYDBRAES-CYBMUJFWSA-N 1 0 285.351 0.972 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000851684785 616074061 /nfs/dbraw/zinc/07/40/61/616074061.db2.gz HUYIRTXHLZMBGG-UHFFFAOYSA-N 1 0 292.383 0.176 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901054088 616170985 /nfs/dbraw/zinc/17/09/85/616170985.db2.gz AEFJMIVOSOJHIO-WFASDCNBSA-N 1 0 278.352 0.806 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 ZINC000929975010 616171100 /nfs/dbraw/zinc/17/11/00/616171100.db2.gz CRSIHKQLDZPVSE-AWEZNQCLSA-N 1 0 281.352 0.726 20 10 CCCDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942378 616320067 /nfs/dbraw/zinc/32/00/67/616320067.db2.gz CGIBGSPZARASAY-FZMZJTMJSA-N 1 0 280.324 0.169 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843435189 616423320 /nfs/dbraw/zinc/42/33/20/616423320.db2.gz QWQAOWQTMIGCHE-ZYHUDNBSSA-N 1 0 283.299 0.887 20 10 CCCDRO COCC[NH2+]CCNC(=O)N[C@H](C)c1ccccc1O ZINC000892055301 616509934 /nfs/dbraw/zinc/50/99/34/616509934.db2.gz JIUDCKLJAQHQQR-LLVKDONJSA-N 1 0 281.356 0.988 20 10 CCCDRO CNC(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827867784 616591073 /nfs/dbraw/zinc/59/10/73/616591073.db2.gz PIGLFBBQMPTIPK-UHFFFAOYSA-N 1 0 290.411 0.616 20 10 CCCDRO COC[C@H](CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892989984 616649658 /nfs/dbraw/zinc/64/96/58/616649658.db2.gz VQKXPMFCXJSLKL-NSHDSACASA-N 1 0 285.340 0.896 20 10 CCCDRO COc1c(O)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000841079452 617149105 /nfs/dbraw/zinc/14/91/05/617149105.db2.gz IGVUNPFXFBEMRQ-JZYVYDRUSA-N 1 0 279.296 0.616 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@](C)(CO)OC)c(O)c1OC ZINC000895200854 632021762 /nfs/dbraw/zinc/02/17/62/632021762.db2.gz VCSPPWJLRCYYSN-AWEZNQCLSA-N 1 0 285.340 0.896 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(O)c1 ZINC000897052447 632380444 /nfs/dbraw/zinc/38/04/44/632380444.db2.gz LUXHQVHIITXCCZ-LLVKDONJSA-N 1 0 284.381 0.811 20 10 CCCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C(N)=O)CC2)c1O ZINC000181727498 638412241 /nfs/dbraw/zinc/41/22/41/638412241.db2.gz ALMDQJPNLHITEI-UHFFFAOYSA-N 1 0 266.272 0.841 20 10 CCCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCOCC1 ZINC000921969674 639445039 /nfs/dbraw/zinc/44/50/39/639445039.db2.gz OIKRNWYYUNPGJL-UHFFFAOYSA-N 1 0 290.363 0.960 20 10 CCCDRO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817944935 641280891 /nfs/dbraw/zinc/28/08/91/641280891.db2.gz PKJZUSVJBDPVQA-NSHDSACASA-N 1 0 294.355 0.856 20 10 CCCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000844224236 643186692 /nfs/dbraw/zinc/18/66/92/643186692.db2.gz DOERMSHEQLSECS-IUODEOHRSA-N 1 0 290.411 0.648 20 10 CCCDRO Cc1cccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000848925724 643689972 /nfs/dbraw/zinc/68/99/72/643689972.db2.gz DYCJZLOERQDGNV-UONOGXRCSA-N 1 0 262.353 0.951 20 10 CCCDRO [NH3+]CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852917191 644056729 /nfs/dbraw/zinc/05/67/29/644056729.db2.gz XDHDJBQDGBAAGY-UHFFFAOYSA-N 1 0 263.341 0.223 20 10 CCCDRO Nc1ccc(OCc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000864635693 645254318 /nfs/dbraw/zinc/25/43/18/645254318.db2.gz SCGHHJXAEXTSOH-LBPRGKRZSA-N 1 0 259.313 0.974 20 10 CCCDRO Nc1ccc(OCc2cn(CC3C[NH2+]C3)nn2)cc1 ZINC000864646802 645258395 /nfs/dbraw/zinc/25/83/95/645258395.db2.gz GYVSVQIUSYQEKE-UHFFFAOYSA-N 1 0 259.313 0.659 20 10 CCCDRO C[C@]1(C(=O)NCCc2ccc(N)cc2)C[NH2+]CCO1 ZINC000876528724 646619353 /nfs/dbraw/zinc/61/93/53/646619353.db2.gz WYWOEUJKCVVKDI-CQSZACIVSA-N 1 0 263.341 0.306 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccccc1O ZINC000877255650 646771191 /nfs/dbraw/zinc/77/11/91/646771191.db2.gz GOZGTGPAOCBPIP-CDMKHQONSA-N 1 0 264.325 0.933 20 10 CCCDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c(O)c1 ZINC000877599425 646827386 /nfs/dbraw/zinc/82/73/86/646827386.db2.gz ZIXISCOFRHNREU-NSHDSACASA-N 1 0 262.309 0.938 20 10 CCCDRO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648883 647089828 /nfs/dbraw/zinc/08/98/28/647089828.db2.gz FAIPRAHGOMCMDN-CHWSQXEVSA-N 1 0 282.384 0.982 20 10 CCCDRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000927021449 648538714 /nfs/dbraw/zinc/53/87/14/648538714.db2.gz BREDTXKTGUNFNW-WDEREUQCSA-N 1 0 285.365 0.375 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C23CC(C(N)=O)(C2)C3)c1 ZINC001277463333 805647824 /nfs/dbraw/zinc/64/78/24/805647824.db2.gz JGFIPAZCPWAZFE-UHFFFAOYSA-N 1 0 262.309 0.898 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)cc1O ZINC001231633890 805822506 /nfs/dbraw/zinc/82/25/06/805822506.db2.gz CEXRKGGCNRPPSB-WDEREUQCSA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(O)c(CN2CC[C@H]3C[C@]32C(N)=O)c(OC)c1 ZINC001277588055 805868639 /nfs/dbraw/zinc/86/86/39/805868639.db2.gz CZZCZDFHKSBJPC-BJOHPYRUSA-N 1 0 292.335 0.859 20 10 CCCDRO C[NH+](C)CCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010196 806003950 /nfs/dbraw/zinc/00/39/50/806003950.db2.gz NFEHZHVDESFHPM-UHFFFAOYSA-N 1 0 295.383 0.483 20 10 CCCDRO Oc1cc(O)c(CN2CC[C@@H](O)[C@H](F)C2)cc1O ZINC001233483308 806059494 /nfs/dbraw/zinc/05/94/94/806059494.db2.gz VBXGDZFQPSBZOX-RKDXNWHRSA-N 1 0 257.261 0.708 20 10 CCCDRO Cc1c(O)ccc(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234992307 806337747 /nfs/dbraw/zinc/33/77/47/806337747.db2.gz YIKZNQBYVUVPGA-OAHLLOKOSA-N 1 0 277.368 0.544 20 10 CCCDRO Oc1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1O ZINC001235052935 806355883 /nfs/dbraw/zinc/35/58/83/806355883.db2.gz RZYLEEUKMCOENG-CQSZACIVSA-N 1 0 263.341 0.235 20 10 CCCDRO COc1ccc(O)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235054275 806358247 /nfs/dbraw/zinc/35/82/47/806358247.db2.gz VOGYKMZMBCLPBD-OAHLLOKOSA-N 1 0 277.368 0.538 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(C)cc1O ZINC001236197985 806550252 /nfs/dbraw/zinc/55/02/52/806550252.db2.gz LPFMGSMIMGYFRS-NEPJUHHUSA-N 1 0 264.325 0.775 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)c(O)cc1O ZINC001236198650 806551541 /nfs/dbraw/zinc/55/15/41/806551541.db2.gz DBHPUNJQTDPCJZ-UWVGGRQHSA-N 1 0 296.323 0.181 20 10 CCCDRO CN1CCOc2cc(CN3C[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001236288784 806560904 /nfs/dbraw/zinc/56/09/04/806560904.db2.gz IZUXJQBXRCMQAA-TZMCWYRMSA-N 1 0 259.353 0.919 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@H]1[NH3+] ZINC001236361210 806587455 /nfs/dbraw/zinc/58/74/55/806587455.db2.gz XOHNDAVVIKZWPG-CHWSQXEVSA-N 1 0 293.367 0.390 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001236807645 806612331 /nfs/dbraw/zinc/61/23/31/806612331.db2.gz HLGHGPBHANVWBH-IINYFYTJSA-N 1 0 267.325 0.494 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001236808092 806612464 /nfs/dbraw/zinc/61/24/64/806612464.db2.gz MEMWSMGLDLIXMP-SMDDNHRTSA-N 1 0 281.352 0.884 20 10 CCCDRO COC(=O)[C@H]1CN(C)CCN1Cc1cccc(F)c1O ZINC001138131046 799703334 /nfs/dbraw/zinc/70/33/34/799703334.db2.gz OCIXXMJMYFPVIY-GFCCVEGCSA-N 1 0 282.315 0.820 20 10 CCCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)ccc21 ZINC001138354453 799723273 /nfs/dbraw/zinc/72/32/73/799723273.db2.gz KKXJQNGGKCHNTG-GOEBONIOSA-N 1 0 276.380 0.854 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031579 799973417 /nfs/dbraw/zinc/97/34/17/799973417.db2.gz IDEUAXBPVWJLIS-QMTHXVAHSA-N 1 0 297.351 0.585 20 10 CCCDRO C[NH+](C)CC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001141043006 799975820 /nfs/dbraw/zinc/97/58/20/799975820.db2.gz LKJMSTYVBHFLLI-UHFFFAOYSA-N 1 0 264.325 0.660 20 10 CCCDRO [NH3+]CCS(=O)(=O)NCc1cc2ccccc2cc1O ZINC001238706487 806799126 /nfs/dbraw/zinc/79/91/26/806799126.db2.gz JTSMBHFRUPYAAY-UHFFFAOYSA-N 1 0 280.349 0.924 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001203602231 803036608 /nfs/dbraw/zinc/03/66/08/803036608.db2.gz KIVKWXCCMVUACK-CHWSQXEVSA-N 1 0 281.352 0.966 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2O)CCO1 ZINC001203620996 803037852 /nfs/dbraw/zinc/03/78/52/803037852.db2.gz MUCBBLZYGVWKIQ-ZDUSSCGKSA-N 1 0 281.308 0.775 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1 ZINC001203669488 803040796 /nfs/dbraw/zinc/04/07/96/803040796.db2.gz DKYXACLMYQAIAQ-LSDHHAIUSA-N 1 0 281.352 0.966 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204272220 803074877 /nfs/dbraw/zinc/07/48/77/803074877.db2.gz KCPFATZQRTZJDB-SNVBAGLBSA-N 1 0 250.298 0.795 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)cc(O)c1O ZINC001204346816 803081189 /nfs/dbraw/zinc/08/11/89/803081189.db2.gz HLMLSFHBOPMRCE-OAHLLOKOSA-N 1 0 292.335 0.818 20 10 CCCDRO COc1cc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206492540 803255554 /nfs/dbraw/zinc/25/55/54/803255554.db2.gz WIYAUCCCVBWNFF-CMPLNLGQSA-N 1 0 282.340 0.161 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001219852510 804433502 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ZINC001254361206 808223721 /nfs/dbraw/zinc/22/37/21/808223721.db2.gz SLQAQRAQADGKTB-GWCFXTLKSA-N 1 0 253.298 0.900 20 10 CCCDRO CN(CCC[NH2+]Cc1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000692465295 811355683 /nfs/dbraw/zinc/35/56/83/811355683.db2.gz GTYSTSCEFBDLRR-UHFFFAOYSA-N 1 0 298.408 0.993 20 10 CCCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001235995683 816983988 /nfs/dbraw/zinc/98/39/88/816983988.db2.gz WMICCNFHAZEALB-RNCFNFMXSA-N 1 0 250.298 0.727 20 10 CCCDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)cc1O ZINC001236298557 817251750 /nfs/dbraw/zinc/25/17/50/817251750.db2.gz WQRSOPPZKQLFGA-NXEZZACHSA-N 1 0 250.298 0.510 20 10 CCCDRO C[NH+](C)C1CC(NC(=O)c2cccc(O)c2O)C1 ZINC000701472862 818965482 /nfs/dbraw/zinc/96/54/82/818965482.db2.gz AFLCLPBTPIDGJX-UHFFFAOYSA-N 1 0 250.298 0.920 20 10 CCCDRO CN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285768 821548435 /nfs/dbraw/zinc/54/84/35/821548435.db2.gz VHQQOWZBKOYILC-HNNXBMFYSA-N 1 0 294.326 0.964 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CN1 ZINC001246237732 839730814 /nfs/dbraw/zinc/73/08/14/839730814.db2.gz BWUIHTNNEFYKAX-UMNHJUIQSA-N 1 0 264.325 0.946 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CN1 ZINC001246317873 839791996 /nfs/dbraw/zinc/79/19/96/839791996.db2.gz RUFYWQWZAQEQPA-ZJUUUORDSA-N 1 0 266.297 0.091 20 10 CCCDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500703 840067628 /nfs/dbraw/zinc/06/76/28/840067628.db2.gz ZNLOZPYHOLSRGO-SFYZADRCSA-N 1 0 257.261 0.708 20 10 CCCDRO O=S1CC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144504586 840068748 /nfs/dbraw/zinc/06/87/48/840068748.db2.gz VZRVYBLWIANGTP-UHFFFAOYSA-N 1 0 269.322 0.368 20 10 CCCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144520722 840070459 /nfs/dbraw/zinc/07/04/59/840070459.db2.gz ZOQSPQARLWOBSW-JTQLQIEISA-N 1 0 297.307 0.567 20 10 CCCDRO CN1CC2(C1)CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515478 840074396 /nfs/dbraw/zinc/07/43/96/840074396.db2.gz PXGVYJBNOQIAIE-UHFFFAOYSA-N 1 0 264.325 0.941 20 10 CCCDRO CCN1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1=O ZINC001172028687 841808810 /nfs/dbraw/zinc/80/88/10/841808810.db2.gz KXZXLGCZWMSBMP-LLVKDONJSA-N 1 0 294.351 0.946 20 10 CCCDRO O=C(NCCNc1cc[nH+]cc1)c1c(F)ccc(O)c1O ZINC001182434538 843823295 /nfs/dbraw/zinc/82/32/95/843823295.db2.gz UXRHPFNCYDTQOQ-UHFFFAOYSA-N 1 0 291.282 0.896 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000717328907 848233895 /nfs/dbraw/zinc/23/38/95/848233895.db2.gz IGOZGIGBOSXQHK-IUODEOHRSA-N 1 0 280.368 0.355 20 10 CCCDRO COc1cccc(C[NH2+]CC(=O)N(C)OC)c1O ZINC000397546181 854429665 /nfs/dbraw/zinc/42/96/65/854429665.db2.gz MLIYYKHABPGYTP-UHFFFAOYSA-N 1 0 254.286 0.510 20 10 CCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(C)=O)cc1C ZINC001331662737 904006275 /nfs/dbraw/zinc/00/62/75/904006275.db2.gz HHGSNGPRDKKECQ-ZDUSSCGKSA-N 1 0 266.341 0.590 20 10 CCCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@](C)(O)CO)cc1F ZINC001329729969 916153468 /nfs/dbraw/zinc/15/34/68/916153468.db2.gz CZSCGGWBRZNVOJ-CYBMUJFWSA-N 1 0 274.311 0.864 20 10 CCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329953281 916311313 /nfs/dbraw/zinc/31/13/13/916311313.db2.gz SJURFINGTNECRR-GXSJLCMTSA-N 1 0 289.335 0.183 20 10 CCCDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc(N)cc2)C1 ZINC001335290441 920097958 /nfs/dbraw/zinc/09/79/58/920097958.db2.gz WRSVGRBBXVBBIH-LBPRGKRZSA-N 1 0 283.397 0.640 20 10 CCCDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC001336123466 920622492 /nfs/dbraw/zinc/62/24/92/920622492.db2.gz CHTRDJPDZQIJIL-AWEZNQCLSA-N 1 0 292.383 0.441 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC001340917899 922274366 /nfs/dbraw/zinc/27/43/66/922274366.db2.gz RBICAMKRFPHAIC-GBIKHYSHSA-N 1 0 266.341 0.786 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)cc1 ZINC001341631019 922591728 /nfs/dbraw/zinc/59/17/28/922591728.db2.gz YPEYEEQTCFVADS-UKRRQHHQSA-N 1 0 277.368 0.482 20 10 CCCDRO Cc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)c(O)c1O ZINC001348021812 924579881 /nfs/dbraw/zinc/57/98/81/924579881.db2.gz VCWDJSWTTDYIGD-UHFFFAOYSA-N 1 0 294.351 0.593 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCNC2=O)c1 ZINC001355370174 926246705 /nfs/dbraw/zinc/24/67/05/926246705.db2.gz HBCHNGBVARPNEK-CYBMUJFWSA-N 1 0 250.298 0.769 20 10 CCCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N)cc2)C1 ZINC001356227885 926356972 /nfs/dbraw/zinc/35/69/72/926356972.db2.gz LSPUJUPYYLKRDH-JSGCOSHPSA-N 1 0 263.341 0.652 20 10 CCCDRO COc1ccc(N2CCN(CCNC(N)=[NH2+])CC2)cc1 ZINC000071628306 348909827 /nfs/dbraw/zinc/90/98/27/348909827.db2.gz LVXASEIGMLYQJZ-UHFFFAOYSA-N 1 0 277.372 0.300 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(C)ccc1O ZINC000187569888 351547351 /nfs/dbraw/zinc/54/73/51/351547351.db2.gz QGBLUSNOQFVIBC-VXGBXAGGSA-N 1 0 265.309 0.809 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@]2(CO)CCOC2)cc1OC ZINC000273475782 353112584 /nfs/dbraw/zinc/11/25/84/353112584.db2.gz KDYJPWIHVFCSLM-CQSZACIVSA-N 1 0 283.324 0.650 20 10 CCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[NH3+] ZINC000040421922 388851765 /nfs/dbraw/zinc/85/17/65/388851765.db2.gz ULWNNXUMYLUMQI-UHFFFAOYSA-N 1 0 263.341 0.440 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000193464936 389070849 /nfs/dbraw/zinc/07/08/49/389070849.db2.gz ZOBIKQBDKJOGTH-OAHLLOKOSA-N 1 0 289.335 0.875 20 10 CCCDRO CN(C)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000178058522 389595738 /nfs/dbraw/zinc/59/57/38/389595738.db2.gz IOFUJOZKINDASM-UHFFFAOYSA-N 1 0 297.424 0.830 20 10 CCCDRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000182441658 389709372 /nfs/dbraw/zinc/70/93/72/389709372.db2.gz VVWPMPUCKXMTTG-LBPRGKRZSA-N 1 0 250.298 0.339 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1F ZINC000375912433 389724952 /nfs/dbraw/zinc/72/49/52/389724952.db2.gz BFXBILJGXKNLEE-GFCCVEGCSA-N 1 0 295.358 0.886 20 10 CCCDRO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccccc1O ZINC000020203146 171067537 /nfs/dbraw/zinc/06/75/37/171067537.db2.gz JKAJVTUTCAZQPS-VIFPVBQESA-N 1 0 258.343 0.592 20 10 CCCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000078639897 260168284 /nfs/dbraw/zinc/16/82/84/260168284.db2.gz SOYQCJYSABGVRU-QMMMGPOBSA-N 1 0 287.337 0.644 20 10 CCCDRO NS(=O)(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000369037111 267217772 /nfs/dbraw/zinc/21/77/72/267217772.db2.gz VMCDBCLCBXADFE-UHFFFAOYSA-N 1 0 270.354 0.645 20 10 CCCDRO CC[NH+](CC)CCCNC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000060862355 520621611 /nfs/dbraw/zinc/62/16/11/520621611.db2.gz PWIOIVXCOVSJHW-UHFFFAOYSA-N 1 0 296.371 0.242 20 10 CCCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278294462 521868874 /nfs/dbraw/zinc/86/88/74/521868874.db2.gz VEIUKKFVNYHMKQ-SECBINFHSA-N 1 0 268.269 0.876 20 10 CCCDRO CN1C(=O)NC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC000289486989 523719547 /nfs/dbraw/zinc/71/95/47/523719547.db2.gz REZIPMPNSLJLNP-UHFFFAOYSA-N 1 0 289.335 0.908 20 10 CCCDRO C[N@@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126236551 523805348 /nfs/dbraw/zinc/80/53/48/523805348.db2.gz PFLXNVKMSPPLIF-UHFFFAOYSA-N 1 0 250.298 0.876 20 10 CCCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276599349 523961308 /nfs/dbraw/zinc/96/13/08/523961308.db2.gz QWMHQGGAERYVKS-QMMMGPOBSA-N 1 0 268.288 0.918 20 10 CCCDRO Cc1cc(Cl)cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1O ZINC000278387039 524863911 /nfs/dbraw/zinc/86/39/11/524863911.db2.gz MLHORJVSLGQSOQ-GHMZBOCLSA-N 1 0 257.717 0.891 20 10 CCCDRO Oc1cc2c(cc1CN1C[C@@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000770395122 581741609 /nfs/dbraw/zinc/74/16/09/581741609.db2.gz PSYSKDOLJJEFPZ-QWRGUYRKSA-N 1 0 262.309 0.772 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000775838334 582042026 /nfs/dbraw/zinc/04/20/26/582042026.db2.gz XDGBGDZGAIINPO-SECBINFHSA-N 1 0 264.329 0.598 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)CC[NH3+])cc1 ZINC000846697810 617267194 /nfs/dbraw/zinc/26/71/94/617267194.db2.gz WNVTWQXRLBPWMI-UHFFFAOYSA-N 1 0 265.357 0.939 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000831752789 617267938 /nfs/dbraw/zinc/26/79/38/617267938.db2.gz DSRAUMVJMWFLTG-NEPJUHHUSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2CO)c1 ZINC000877644370 617273000 /nfs/dbraw/zinc/27/30/00/617273000.db2.gz ORIIVTSLRARWKU-LBPRGKRZSA-N 1 0 266.341 0.509 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000850357969 617300065 /nfs/dbraw/zinc/30/00/65/617300065.db2.gz DFXHBWBZEJTHKH-HNNXBMFYSA-N 1 0 297.351 0.658 20 10 CCCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCNC2=O)c1O ZINC000850482540 617309226 /nfs/dbraw/zinc/30/92/26/617309226.db2.gz TVSYMMUKNQAJOF-WPRPVWTQSA-N 1 0 250.298 0.940 20 10 CCCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839171597 614921293 /nfs/dbraw/zinc/92/12/93/614921293.db2.gz HWYQVHCMWRBTSR-HIFRSBDPSA-N 1 0 264.369 0.928 20 10 CCCDRO CC1(OCC(=O)NCCc2ccc(N)cc2)C[NH2+]C1 ZINC000843341223 614933249 /nfs/dbraw/zinc/93/32/49/614933249.db2.gz AKHOANIARHDRNX-UHFFFAOYSA-N 1 0 263.341 0.306 20 10 CCCDRO CCON(C)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000846062923 615337079 /nfs/dbraw/zinc/33/70/79/615337079.db2.gz CRZYLQMOZXLNFY-UHFFFAOYSA-N 1 0 298.339 0.909 20 10 CCCDRO CCNC(=O)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297787 615457434 /nfs/dbraw/zinc/45/74/34/615457434.db2.gz LFCUJNNKZNDELT-CYBMUJFWSA-N 1 0 292.383 0.395 20 10 CCCDRO CCOc1ccc(C[NH2+]CCN2CC[C@H](O)C2)c(O)c1 ZINC000858339148 615511161 /nfs/dbraw/zinc/51/11/61/615511161.db2.gz POLRSJFAKNDREC-ZDUSSCGKSA-N 1 0 280.368 0.947 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@]2(C(N)=O)CCOC2)cc1 ZINC000847053320 616016057 /nfs/dbraw/zinc/01/60/57/616016057.db2.gz KAFVPGLLFGOWBE-CQSZACIVSA-N 1 0 263.341 0.487 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(N)CC2(F)F)cc1 ZINC000870932954 616019148 /nfs/dbraw/zinc/01/91/48/616019148.db2.gz MSWDUOIUMJZJRR-AAEUAGOBSA-N 1 0 298.337 0.605 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N(C)C)cc1 ZINC000842784360 616019450 /nfs/dbraw/zinc/01/94/50/616019450.db2.gz IJMFFAAFIFPCRN-LBPRGKRZSA-N 1 0 286.401 0.148 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C2CC2)cc1 ZINC000842785138 616019521 /nfs/dbraw/zinc/01/95/21/616019521.db2.gz PVZXBOUZYLVVAO-ZDUSSCGKSA-N 1 0 283.397 0.834 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CO ZINC000929185576 616167117 /nfs/dbraw/zinc/16/71/17/616167117.db2.gz OFNUIGGGFVNNFZ-OAHLLOKOSA-N 1 0 280.368 0.308 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929976315 616171092 /nfs/dbraw/zinc/17/10/92/616171092.db2.gz MYVBFFIUUUJOIA-ZFWWWQNUSA-N 1 0 281.352 0.726 20 10 CCCDRO CN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C[NH3+])C1 ZINC000843120384 616245358 /nfs/dbraw/zinc/24/53/58/616245358.db2.gz IEIZJPDQUXKNKG-LLVKDONJSA-N 1 0 279.340 0.196 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1ccc(N)cc1 ZINC000843477686 616398230 /nfs/dbraw/zinc/39/82/30/616398230.db2.gz LZLZCCIBDDOBDL-ZDUSSCGKSA-N 1 0 291.351 0.175 20 10 CCCDRO COCC[NH2+]CCc1cn(-c2ccc(N)cc2)nn1 ZINC000864619229 616511600 /nfs/dbraw/zinc/51/16/00/616511600.db2.gz BJNAGFZIULVANA-UHFFFAOYSA-N 1 0 261.329 0.628 20 10 CCCDRO COC1CCN(c2ccc(C[NH2+]C(CO)CO)cc2)CC1 ZINC000846937451 616525172 /nfs/dbraw/zinc/52/51/72/616525172.db2.gz GIPLGLSAORVAMP-UHFFFAOYSA-N 1 0 294.395 0.745 20 10 CCCDRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941699 616561017 /nfs/dbraw/zinc/56/10/17/616561017.db2.gz OKHGENIJRVFJTM-HNNXBMFYSA-N 1 0 282.384 0.866 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877491765 616672885 /nfs/dbraw/zinc/67/28/85/616672885.db2.gz WVLKHYYSEOYLNY-AWEZNQCLSA-N 1 0 294.395 0.745 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000863545468 616918583 /nfs/dbraw/zinc/91/85/83/616918583.db2.gz SKKGPPJFYVJZBA-JQWIXIFHSA-N 1 0 294.351 0.818 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876814011 617035177 /nfs/dbraw/zinc/03/51/77/617035177.db2.gz IAAUYXXXBRUWER-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877074161 617112258 /nfs/dbraw/zinc/11/22/58/617112258.db2.gz ALZHSXMYBILWPQ-OCCSQVGLSA-N 1 0 263.341 0.999 20 10 CCCDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000892185068 622651990 /nfs/dbraw/zinc/65/19/90/622651990.db2.gz YVKSQYWWLLVNIT-WDEREUQCSA-N 1 0 279.340 0.741 20 10 CCCDRO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+]1CCO ZINC000190240617 622774537 /nfs/dbraw/zinc/77/45/37/622774537.db2.gz KRTQCQNFQYWLKI-NSHDSACASA-N 1 0 294.351 0.619 20 10 CCCDRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccccc1O ZINC000228423865 623039256 /nfs/dbraw/zinc/03/92/56/623039256.db2.gz CWHHSZQOGIZNIC-NSHDSACASA-N 1 0 250.298 0.387 20 10 CCCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1(O)CCOCC1 ZINC000905086636 634790158 /nfs/dbraw/zinc/79/01/58/634790158.db2.gz FHMSNSJSZNDTMJ-OAHLLOKOSA-N 1 0 293.363 0.614 20 10 CCCDRO Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)c(O)c1O ZINC000924988750 631698591 /nfs/dbraw/zinc/69/85/91/631698591.db2.gz PTYRSOJKJGMPQX-VHSXEESVSA-N 1 0 280.324 0.201 20 10 CCCDRO COc1ccc(C[NH2+]CCN2CCNC2=O)c(O)c1OC ZINC000896054387 632193232 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ZINC000811811335 640988918 /nfs/dbraw/zinc/98/89/18/640988918.db2.gz SAXQTJZSWAFWLL-UHFFFAOYSA-N 1 0 273.292 0.668 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817945821 641280850 /nfs/dbraw/zinc/28/08/50/641280850.db2.gz MUKZHNVDKUFSFX-JTQLQIEISA-N 1 0 281.331 0.614 20 10 CCCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]12 ZINC000824893571 641850762 /nfs/dbraw/zinc/85/07/62/641850762.db2.gz WEFNAIZOOBNESG-AOOOYVTPSA-N 1 0 280.711 0.750 20 10 CCCDRO O=C(CCOC1C[NH2+]C1)NCc1ccccc1O ZINC000828016275 642059371 /nfs/dbraw/zinc/05/93/71/642059371.db2.gz YFCICWAARXOJHL-UHFFFAOYSA-N 1 0 250.298 0.387 20 10 CCCDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000830648634 642280991 /nfs/dbraw/zinc/28/09/91/642280991.db2.gz OVMIJEXZEVJWNF-UKRRQHHQSA-N 1 0 296.342 0.512 20 10 CCCDRO C[C@@H](O)CN1CCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000832490614 642487103 /nfs/dbraw/zinc/48/71/03/642487103.db2.gz OESPASYEFIWYNF-VHSXEESVSA-N 1 0 284.381 0.981 20 10 CCCDRO 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279.384 0.513 20 10 CCCDRO Nc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405343335 803876407 /nfs/dbraw/zinc/87/64/07/803876407.db2.gz FAYLJJOCMSOCAB-QWHCGFSZSA-N 1 0 276.340 0.552 20 10 CCCDRO O=C1C[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001218340048 803949518 /nfs/dbraw/zinc/94/95/18/803949518.db2.gz XZNXSXIWAGYTMJ-ZDUSSCGKSA-N 1 0 261.325 0.364 20 10 CCCDRO COc1cc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc(OC)n1 ZINC001219589033 804360870 /nfs/dbraw/zinc/36/08/70/804360870.db2.gz JJHQZWGGZMYHDI-ONGXEEELSA-N 1 0 279.340 0.969 20 10 CCCDRO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001220116046 804504222 /nfs/dbraw/zinc/50/42/22/804504222.db2.gz XLJCCCRQZQOSLA-NXEZZACHSA-N 1 0 280.324 0.590 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@]2(N)CC[NH2+]C2)c(O)c1 ZINC001220825526 804674664 /nfs/dbraw/zinc/67/46/64/804674664.db2.gz KTGSJRKFSORHAG-CQSZACIVSA-N 1 0 263.341 0.316 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)c(O)c1 ZINC001220825519 804674861 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C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1O ZINC001270067450 813610289 /nfs/dbraw/zinc/61/02/89/813610289.db2.gz JFYPYUOKAROATC-UWVGGRQHSA-N 1 0 278.308 0.722 20 10 CCCDRO CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270070011 813612578 /nfs/dbraw/zinc/61/25/78/813612578.db2.gz SEOTWGQLRZOBPM-DTORHVGOSA-N 1 0 264.281 0.332 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1O ZINC000699969454 817098736 /nfs/dbraw/zinc/09/87/36/817098736.db2.gz BZUPRRZPZCCMDO-ZYHUDNBSSA-N 1 0 271.338 0.294 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1[NH3+] ZINC001236348875 817277197 /nfs/dbraw/zinc/27/71/97/817277197.db2.gz NEXROECZWNXIIE-MNOVXSKESA-N 1 0 268.288 0.463 20 10 CCCDRO CCc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000700314626 818762005 /nfs/dbraw/zinc/76/20/05/818762005.db2.gz YCCIAOQIJIZBSH-OLZOCXBDSA-N 1 0 299.392 0.856 20 10 CCCDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000711711047 820075552 /nfs/dbraw/zinc/07/55/52/820075552.db2.gz DJJQTZWWULLVQU-SCZZXKLOSA-N 1 0 299.348 0.644 20 10 CCCDRO COc1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206086979 839382386 /nfs/dbraw/zinc/38/23/86/839382386.db2.gz LNJRIFJRMUIUCU-VXGBXAGGSA-N 1 0 252.314 0.295 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001144500106 840067400 /nfs/dbraw/zinc/06/74/00/840067400.db2.gz PBAQLUQOKKDQEW-LLVKDONJSA-N 1 0 294.351 0.710 20 10 CCCDRO CN1CC[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001273671774 846231270 /nfs/dbraw/zinc/23/12/70/846231270.db2.gz QPANNVGQDIMFQI-OAHLLOKOSA-N 1 0 292.335 0.858 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001275273601 848682758 /nfs/dbraw/zinc/68/27/58/848682758.db2.gz SGDQKJYMTJXIFG-BETUJISGSA-N 1 0 278.352 0.916 20 10 CCCDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(O)c1O ZINC000394721265 854242530 /nfs/dbraw/zinc/24/25/30/854242530.db2.gz WNAMQIQFIKTLEO-LLVKDONJSA-N 1 0 291.351 0.218 20 10 CCCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000398472111 854482173 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ZINC001339716143 908478163 /nfs/dbraw/zinc/47/81/63/908478163.db2.gz SQEUEEHLRAVAQT-MFKMUULPSA-N 1 0 265.357 0.144 20 10 CCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332128429 917886540 /nfs/dbraw/zinc/88/65/40/917886540.db2.gz PYIRXBQRCSNEFB-NSHDSACASA-N 1 0 289.335 0.055 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCCc2nnnn2C)c1O ZINC001336875591 921072340 /nfs/dbraw/zinc/07/23/40/921072340.db2.gz YMJRGISJUHNISU-UHFFFAOYSA-N 1 0 291.355 0.955 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@]1(F)CC[NH2+]C1 ZINC001342612852 923019763 /nfs/dbraw/zinc/01/97/63/923019763.db2.gz IYGZDNUWXZUTMC-LBPRGKRZSA-N 1 0 256.252 0.849 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)NCc1c(O)cccc1F ZINC001342613242 923025975 /nfs/dbraw/zinc/02/59/75/923025975.db2.gz LXWBYRRHZMPISG-SNVBAGLBSA-N 1 0 256.277 0.511 20 10 CCCDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1c(O)cccc1F ZINC001344822785 923698206 /nfs/dbraw/zinc/69/82/06/923698206.db2.gz XVUAEVBQWNKKDW-NSHDSACASA-N 1 0 295.314 0.016 20 10 CCCDRO Nc1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC001345160430 923816847 /nfs/dbraw/zinc/81/68/47/923816847.db2.gz VQXAMIFPDSNICU-TXEJJXNPSA-N 1 0 266.366 0.745 20 10 CCCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879809 348300199 /nfs/dbraw/zinc/30/01/99/348300199.db2.gz CNXHSHSYOITKQT-QMMMGPOBSA-N 1 0 266.297 0.735 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000225329567 352002059 /nfs/dbraw/zinc/00/20/59/352002059.db2.gz HGOIVIPDYSRRHT-ZDUSSCGKSA-N 1 0 279.384 0.736 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000263792687 352594442 /nfs/dbraw/zinc/59/44/42/352594442.db2.gz YMGQLHKCFRCCSB-JTQLQIEISA-N 1 0 250.298 0.721 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(OC)c1O ZINC000271159446 353027076 /nfs/dbraw/zinc/02/70/76/353027076.db2.gz JYCCYHAORIANEA-MNOVXSKESA-N 1 0 281.308 0.509 20 10 CCCDRO Cc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000294260675 353882767 /nfs/dbraw/zinc/88/27/67/353882767.db2.gz UZXWLUFZFFZQHV-KBPBESRZSA-N 1 0 250.342 0.598 20 10 CCCDRO C[C@@H](O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000188734397 388938883 /nfs/dbraw/zinc/93/88/83/388938883.db2.gz VTEIUMUQBOEALW-GFCCVEGCSA-N 1 0 250.342 0.891 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000092735665 389032602 /nfs/dbraw/zinc/03/26/02/389032602.db2.gz DINNMIYKGMEKFY-LBPRGKRZSA-N 1 0 250.298 0.387 20 10 CCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132914984 389228727 /nfs/dbraw/zinc/22/87/27/389228727.db2.gz VJYQDLHMWDBMOA-JTQLQIEISA-N 1 0 281.331 0.626 20 10 CCCDRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000182441675 389709302 /nfs/dbraw/zinc/70/93/02/389709302.db2.gz VVWPMPUCKXMTTG-GFCCVEGCSA-N 1 0 250.298 0.339 20 10 CCCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000120347613 262193466 /nfs/dbraw/zinc/19/34/66/262193466.db2.gz QTJCJVYKGICAJZ-UHFFFAOYSA-N 1 0 280.324 0.983 20 10 CCCDRO O=C1CO[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C[C@H]2N1 ZINC000377223618 268057661 /nfs/dbraw/zinc/05/76/61/268057661.db2.gz KVICDBPLIGNOML-DGCLKSJQSA-N 1 0 280.299 0.621 20 10 CCCDRO COC[C@@H](CCO)[NH2+]Cc1cccc(OC)c1O ZINC000219120546 329147483 /nfs/dbraw/zinc/14/74/83/329147483.db2.gz PYWMHVAKXDHDNL-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO C[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000052395889 522317778 /nfs/dbraw/zinc/31/77/78/522317778.db2.gz TZOFCILUCNRMTO-LBPRGKRZSA-N 1 0 277.368 0.952 20 10 CCCDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000279287287 523822593 /nfs/dbraw/zinc/82/25/93/523822593.db2.gz LYVPRYSPNIZFKN-UHFFFAOYSA-N 1 0 294.351 0.892 20 10 CCCDRO CN1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCC1=O ZINC000084061315 524024661 /nfs/dbraw/zinc/02/46/61/524024661.db2.gz VFJIZNXPKJMVGK-SNVBAGLBSA-N 1 0 278.308 0.831 20 10 CCCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000193673709 524529062 /nfs/dbraw/zinc/52/90/62/524529062.db2.gz UIXPMMNJZGAJAW-OQPBUACISA-N 1 0 278.308 0.735 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1OC ZINC000895329363 617207869 /nfs/dbraw/zinc/20/78/69/617207869.db2.gz JIFYGFQBAWZRQH-NHYWBVRUSA-N 1 0 297.351 0.727 20 10 CCCDRO COc1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)c(O)c1 ZINC000832177572 617253476 /nfs/dbraw/zinc/25/34/76/617253476.db2.gz ASQCMCPNTQXFSQ-CYBMUJFWSA-N 1 0 294.351 0.786 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)c(O)c1 ZINC000876910797 617256136 /nfs/dbraw/zinc/25/61/36/617256136.db2.gz MWRXWOQHMXOOEK-CQSZACIVSA-N 1 0 280.324 0.396 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CO)cc1 ZINC000930850692 617267096 /nfs/dbraw/zinc/26/70/96/617267096.db2.gz YHEICEYQWWDGHE-ZDUSSCGKSA-N 1 0 268.357 0.416 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)NCC[NH3+])cc1 ZINC000846171037 617267166 /nfs/dbraw/zinc/26/71/66/617267166.db2.gz QRKZTOSIQAUPQA-UHFFFAOYSA-N 1 0 280.372 0.732 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000877228139 617267673 /nfs/dbraw/zinc/26/76/73/617267673.db2.gz UUWFDUPJACBJOD-LLVKDONJSA-N 1 0 293.367 0.700 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000828667920 617274303 /nfs/dbraw/zinc/27/43/03/617274303.db2.gz WLKVPBZAUVXWHK-TVQRCGJNSA-N 1 0 280.324 0.566 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccnn2C)c1 ZINC000897302530 617273176 /nfs/dbraw/zinc/27/31/76/617273176.db2.gz POQSCUWDPFCECX-CQSZACIVSA-N 1 0 277.324 0.958 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(OCCO)CCOC2)c1 ZINC000826942560 617273280 /nfs/dbraw/zinc/27/32/80/617273280.db2.gz QNPKHIRLUHWSEL-HNNXBMFYSA-N 1 0 297.351 0.658 20 10 CCCDRO CC(=O)c1cc(F)cc(CN(CC[NH3+])CCO)c1O ZINC000843368177 614249183 /nfs/dbraw/zinc/24/91/83/614249183.db2.gz OALWVFWAJHGTDC-UHFFFAOYSA-N 1 0 270.304 0.487 20 10 CCCDRO CCN(C)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859455423 614921232 /nfs/dbraw/zinc/92/12/32/614921232.db2.gz HSWYCKYPODEZQN-KBPBESRZSA-N 1 0 250.342 0.680 20 10 CCCDRO CCNC(=O)CN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876569057 615047393 /nfs/dbraw/zinc/04/73/93/615047393.db2.gz VGYWWUKGTAOMGB-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO CCOc1ccc(O)c(CN2CCO[C@@H](C[NH3+])C2)c1 ZINC000843069597 615512173 /nfs/dbraw/zinc/51/21/73/615512173.db2.gz RXXKAJPRKUBFML-ZDUSSCGKSA-N 1 0 266.341 0.950 20 10 CCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)CO)cc1 ZINC000835045156 616011238 /nfs/dbraw/zinc/01/12/38/616011238.db2.gz KDYOTWWVHPYFLJ-XGACYXMMSA-N 1 0 250.342 0.709 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1F ZINC000852862785 616014270 /nfs/dbraw/zinc/01/42/70/616014270.db2.gz GKXKAUXKJZGHLZ-JTQLQIEISA-N 1 0 294.330 0.612 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1F ZINC000852863216 616015240 /nfs/dbraw/zinc/01/52/40/616015240.db2.gz LGGXUUZSCKIBJQ-RISCZKNCSA-N 1 0 295.358 0.872 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858338624 616015594 /nfs/dbraw/zinc/01/55/94/616015594.db2.gz IUPZTKNVINUMNA-HNNXBMFYSA-N 1 0 263.385 0.909 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846673951 616015724 /nfs/dbraw/zinc/01/57/24/616015724.db2.gz YFYWRLRGWMAMCT-BBRMVZONSA-N 1 0 289.379 0.605 20 10 CCCDRO C[NH+]1CCC(N(CCO)C(=O)c2cccc(O)c2O)CC1 ZINC000911941300 616171800 /nfs/dbraw/zinc/17/18/00/616171800.db2.gz LWJXHAQYBORFEZ-UHFFFAOYSA-N 1 0 294.351 0.627 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434723 616423409 /nfs/dbraw/zinc/42/34/09/616423409.db2.gz MUEPYKNPTJPSFD-VXGBXAGGSA-N 1 0 295.335 0.757 20 10 CCCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843435523 616477671 /nfs/dbraw/zinc/47/76/71/616477671.db2.gz VNXBUSYBTWVGHF-NEPJUHHUSA-N 1 0 295.335 0.757 20 10 CCCDRO COC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649555 616756917 /nfs/dbraw/zinc/75/69/17/616756917.db2.gz VZDQZLYIZUSVAB-NOZJJQNGSA-N 1 0 253.298 0.967 20 10 CCCDRO COC[C@@H](O)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905702149 616921524 /nfs/dbraw/zinc/92/15/24/616921524.db2.gz AAHCJUVTPVSNLU-HOTGVXAUSA-N 1 0 295.427 0.952 20 10 CCCDRO COC[C@@H](O)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905702151 616922839 /nfs/dbraw/zinc/92/28/39/616922839.db2.gz AAHCJUVTPVSNLU-JKSUJKDBSA-N 1 0 295.427 0.952 20 10 CCCDRO COCC[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000126390797 616961965 /nfs/dbraw/zinc/96/19/65/616961965.db2.gz XNYHUEGGFYRBIX-UHFFFAOYSA-N 1 0 268.313 0.406 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)NCCCSc1nccs1 ZINC000884138696 617163655 /nfs/dbraw/zinc/16/36/55/617163655.db2.gz WLURSCNHYPPOBJ-QMMMGPOBSA-N 1 0 275.399 0.715 20 10 CCCDRO COc1ccc(O)c(CN2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313349030 625770682 /nfs/dbraw/zinc/77/06/82/625770682.db2.gz UQWSMJBTAFMSFQ-ZDUSSCGKSA-N 1 0 266.341 0.950 20 10 CCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(N)cc1 ZINC000892038686 625042428 /nfs/dbraw/zinc/04/24/28/625042428.db2.gz HKUJDLMZWJPVLB-GWCFXTLKSA-N 1 0 262.357 0.942 20 10 CCCDRO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccccc1O ZINC000903279108 634549728 /nfs/dbraw/zinc/54/97/28/634549728.db2.gz ILKOIXJSVAKBTF-WFASDCNBSA-N 1 0 280.368 0.736 20 10 CCCDRO O=C(NCc1ccc(O)cc1O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000910944919 635863967 /nfs/dbraw/zinc/86/39/67/635863967.db2.gz ZBLXNCKMHWEXIG-LBPRGKRZSA-N 1 0 292.335 0.435 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC000911783219 636377902 /nfs/dbraw/zinc/37/79/02/636377902.db2.gz RCSNPYHRFJKOOW-CJNGLKHVSA-N 1 0 289.379 0.554 20 10 CCCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000229641188 637125553 /nfs/dbraw/zinc/12/55/53/637125553.db2.gz ZKZLPVVBWKECLC-MRXNPFEDSA-N 1 0 292.379 0.764 20 10 CCCDRO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557456 638234143 /nfs/dbraw/zinc/23/41/43/638234143.db2.gz KBXMHXGJBCUPGE-GFCCVEGCSA-N 1 0 284.381 0.906 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922972072 639988663 /nfs/dbraw/zinc/98/86/63/639988663.db2.gz FPUFLAZPXMNXOC-CYBMUJFWSA-N 1 0 277.324 0.958 20 10 CCCDRO Nc1ccc(CCNC(=O)NCC[NH2+]C2CC2)cc1 ZINC000841929659 642855539 /nfs/dbraw/zinc/85/55/39/642855539.db2.gz JZLVOAIDEXJZJY-UHFFFAOYSA-N 1 0 262.357 0.863 20 10 CCCDRO Nc1ccc(CC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000842509767 642902298 /nfs/dbraw/zinc/90/22/98/642902298.db2.gz MADQALCIFUIWRJ-ZDUSSCGKSA-N 1 0 263.341 0.388 20 10 CCCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327669 643729631 /nfs/dbraw/zinc/72/96/31/643729631.db2.gz UFKGAOGSBMUXDF-GFCCVEGCSA-N 1 0 298.408 0.392 20 10 CCCDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000850834223 643816307 /nfs/dbraw/zinc/81/63/07/643816307.db2.gz FLNKLRGRGAKTQH-JTQLQIEISA-N 1 0 278.356 0.664 20 10 CCCDRO Nc1ccc(CCNC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851664914 643868234 /nfs/dbraw/zinc/86/82/34/643868234.db2.gz LPNCWQXGLRGHKH-UHFFFAOYSA-N 1 0 274.368 0.863 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852871461 644034329 /nfs/dbraw/zinc/03/43/29/644034329.db2.gz OZLXGTOWKQXAAD-ZDUSSCGKSA-N 1 0 290.367 0.781 20 10 CCCDRO Cc1cc(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1Cl ZINC000862446355 645000723 /nfs/dbraw/zinc/00/07/23/645000723.db2.gz XXYZGOZEDZLIDU-RYUDHWBXSA-N 1 0 257.717 0.891 20 10 CCCDRO C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccccc1O ZINC000877256837 646770766 /nfs/dbraw/zinc/77/07/66/646770766.db2.gz GBCNHPKPEQYEEO-ONGXEEELSA-N 1 0 251.330 0.458 20 10 CCCDRO Cc1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(O)c1 ZINC000877618438 646829725 /nfs/dbraw/zinc/82/97/25/646829725.db2.gz UJPOTLACWNERSU-UONOGXRCSA-N 1 0 262.353 0.951 20 10 CCCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000877749234 646837784 /nfs/dbraw/zinc/83/77/84/646837784.db2.gz QYQNOVVUUHAUFO-CVEARBPZSA-N 1 0 292.379 0.451 20 10 CCCDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749352 646838406 /nfs/dbraw/zinc/83/84/06/646838406.db2.gz SUYWQQVFLJWJMI-NEPJUHHUSA-N 1 0 257.717 0.973 20 10 CCCDRO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650500 647089680 /nfs/dbraw/zinc/08/96/80/647089680.db2.gz FAIPRAHGOMCMDN-QWHCGFSZSA-N 1 0 282.384 0.982 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883196917 647499472 /nfs/dbraw/zinc/49/94/72/647499472.db2.gz YPHXXCJYALOSIS-MLGOLLRUSA-N 1 0 294.395 0.479 20 10 CCCDRO C[S@@](=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000134737766 647747734 /nfs/dbraw/zinc/74/77/34/647747734.db2.gz VNBDOGXMENECRD-IBGZPJMESA-N 1 0 282.409 0.991 20 10 CCCDRO COc1cc(CN2CC[NH+](CCCO)CC2)c(O)cc1O ZINC001231633006 805822944 /nfs/dbraw/zinc/82/29/44/805822944.db2.gz HXZOHQNWTVWAFK-UHFFFAOYSA-N 1 0 296.367 0.606 20 10 CCCDRO COc1cc(C[N@H+]2CCc3nncn3CC2)c(O)cc1O ZINC001231632977 805823134 /nfs/dbraw/zinc/82/31/34/805823134.db2.gz GWBMZRZJUGJPBC-UHFFFAOYSA-N 1 0 290.323 0.756 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001232835688 805986254 /nfs/dbraw/zinc/98/62/54/805986254.db2.gz FQOJWXJFTDRBKD-TZMCWYRMSA-N 1 0 280.368 0.633 20 10 CCCDRO CO[C@H]1CN(Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233482962 806060212 /nfs/dbraw/zinc/06/02/12/806060212.db2.gz IWECVNJQJQNUBG-UFBFGSQYSA-N 1 0 257.261 0.972 20 10 CCCDRO COc1ccc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)c1 ZINC001234979409 806324546 /nfs/dbraw/zinc/32/45/46/806324546.db2.gz DEEYGUIBLDXDSD-HNNXBMFYSA-N 1 0 277.368 0.538 20 10 CCCDRO Cc1cc(F)cc(CN2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235061405 806364754 /nfs/dbraw/zinc/36/47/54/806364754.db2.gz IPRQDQJQRXFHDA-HNNXBMFYSA-N 1 0 279.359 0.977 20 10 CCCDRO COc1cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)cc1O ZINC001235065314 806368708 /nfs/dbraw/zinc/36/87/08/806368708.db2.gz WHLIKFNNKAUZIY-OAHLLOKOSA-N 1 0 293.367 0.244 20 10 CCCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1OC ZINC001236298477 806563779 /nfs/dbraw/zinc/56/37/79/806563779.db2.gz UZQJIFFCZZROAE-MNOVXSKESA-N 1 0 264.325 0.813 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1[NH3+] ZINC001236345157 806574777 /nfs/dbraw/zinc/57/47/77/806574777.db2.gz CZSPQFHEVPRDHD-UONOGXRCSA-N 1 0 291.395 0.993 20 10 CCCDRO C[C@@H]1CN(Cc2c(O)cc(O)cc2O)C[C@H](C)[NH2+]1 ZINC001236577998 806594637 /nfs/dbraw/zinc/59/46/37/806594637.db2.gz JPIYWTWNLWDPPC-DTORHVGOSA-N 1 0 252.314 0.986 20 10 CCCDRO C[NH+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237201981 806646787 /nfs/dbraw/zinc/64/67/87/806646787.db2.gz DSZNTXVVWFRDPO-UHFFFAOYSA-N 1 0 268.382 0.983 20 10 CCCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001140178389 799885940 /nfs/dbraw/zinc/88/59/40/799885940.db2.gz KKVLEPFOODIIGV-AAEUAGOBSA-N 1 0 251.326 0.794 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463121 799910408 /nfs/dbraw/zinc/91/04/08/799910408.db2.gz TXHZHQFJONJKEV-JOYOIKCWSA-N 1 0 257.717 0.831 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156571 799985672 /nfs/dbraw/zinc/98/56/72/799985672.db2.gz NNFQKGSOOFFWJX-ZWNOBZJWSA-N 1 0 253.298 0.273 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001161134730 802098008 /nfs/dbraw/zinc/09/80/08/802098008.db2.gz LAPDUHODXMEPHU-CABCVRRESA-N 1 0 291.395 0.824 20 10 CCCDRO Cn1ccc(-c2cnc(O[C@@H]3CCC[NH2+]C3)nc2)cc1=O ZINC001240986395 806960827 /nfs/dbraw/zinc/96/08/27/806960827.db2.gz QJENOQWRGGXSCG-CYBMUJFWSA-N 1 0 286.335 0.973 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001163839617 802623740 /nfs/dbraw/zinc/62/37/40/802623740.db2.gz PBOJPYXPOAYRGE-CYBMUJFWSA-N 1 0 263.341 0.395 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCN1C ZINC001203558646 803034048 /nfs/dbraw/zinc/03/40/48/803034048.db2.gz SEEUYKTXIWNBNR-LBPRGKRZSA-N 1 0 264.325 0.681 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1 ZINC001203680446 803041799 /nfs/dbraw/zinc/04/17/99/803041799.db2.gz YEIIQHXILNXRJE-GXFFZTMASA-N 1 0 276.336 0.969 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1O ZINC001203875537 803049482 /nfs/dbraw/zinc/04/94/82/803049482.db2.gz PKKFJLPHYJEDIO-GWCFXTLKSA-N 1 0 253.298 0.273 20 10 CCCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1C[NH3+] ZINC001205151730 803122318 /nfs/dbraw/zinc/12/23/18/803122318.db2.gz ZXHFPUUUPXEILX-WCBMZHEXSA-N 1 0 252.314 0.830 20 10 CCCDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc(O)c1O ZINC001206053084 803199292 /nfs/dbraw/zinc/19/92/92/803199292.db2.gz IZRNPZRQLRBQPB-PSASIEDQSA-N 1 0 252.314 0.885 20 10 CCCDRO O=C(CC1CC[NH2+]CC1)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489586 804613338 /nfs/dbraw/zinc/61/33/38/804613338.db2.gz BNWVSLDDMXZIIQ-UHFFFAOYSA-N 1 0 292.335 0.786 20 10 CCCDRO CCn1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1=O ZINC001241899901 806985067 /nfs/dbraw/zinc/98/50/67/806985067.db2.gz HELALUAVFCHOOR-UHFFFAOYSA-N 1 0 285.351 0.735 20 10 CCCDRO NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2O1 ZINC001277192022 805333996 /nfs/dbraw/zinc/33/39/96/805333996.db2.gz JLHAOTAGBGHTCH-QKCSRTOESA-N 1 0 292.335 0.563 20 10 CCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001249201461 807547591 /nfs/dbraw/zinc/54/75/91/807547591.db2.gz TUFIBFMXYFYWSI-LBPRGKRZSA-N 1 0 279.336 0.922 20 10 CCCDRO Cc1cccc(C[NH2+]C[C@@H](O)CN2CCOCC2)c1O ZINC001251046476 807656301 /nfs/dbraw/zinc/65/63/01/807656301.db2.gz QJYQVKHVTJZQPT-CQSZACIVSA-N 1 0 280.368 0.483 20 10 CCCDRO CC(C)[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253752930 808133089 /nfs/dbraw/zinc/13/30/89/808133089.db2.gz ZIWAKKPKNOKTQH-OLZOCXBDSA-N 1 0 255.314 0.738 20 10 CCCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253808527 808149720 /nfs/dbraw/zinc/14/97/20/808149720.db2.gz DCMKHNKMRDMXRW-JTQLQIEISA-N 1 0 269.297 0.502 20 10 CCCDRO CC(C)N(C)CC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001142590293 815183237 /nfs/dbraw/zinc/18/32/37/815183237.db2.gz RAETWMJQPDGSEZ-UHFFFAOYSA-N 1 0 280.324 0.737 20 10 CCCDRO CC1(OCC(=O)NCc2ccccc2O)C[NH2+]C1 ZINC000161254900 815469763 /nfs/dbraw/zinc/46/97/63/815469763.db2.gz LXBQIGQNVMZVAE-UHFFFAOYSA-N 1 0 250.298 0.387 20 10 CCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001270575315 813820078 /nfs/dbraw/zinc/82/00/78/813820078.db2.gz JKGGEWBYHOFVMF-NEPJUHHUSA-N 1 0 276.336 0.803 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@H]1[NH3+] ZINC001236352357 817282690 /nfs/dbraw/zinc/28/26/90/817282690.db2.gz VRZIYEHJIVRLTI-NEPJUHHUSA-N 1 0 264.325 0.633 20 10 CCCDRO COC[C@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000700877242 818859992 /nfs/dbraw/zinc/85/99/92/818859992.db2.gz CRIWJIYRKNZEHL-CYBMUJFWSA-N 1 0 250.342 0.905 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1O ZINC001206087287 839413744 /nfs/dbraw/zinc/41/37/44/839413744.db2.gz PQILUFXUIUDUCH-ZYHUDNBSSA-N 1 0 256.733 0.940 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001144500108 840066587 /nfs/dbraw/zinc/06/65/87/840066587.db2.gz PBAQLUQOKKDQEW-NSHDSACASA-N 1 0 294.351 0.710 20 10 CCCDRO Oc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001144500638 840066735 /nfs/dbraw/zinc/06/67/35/840066735.db2.gz XFDNNQRJBJLNPE-NXEZZACHSA-N 1 0 257.261 0.708 20 10 CCCDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500704 840066839 /nfs/dbraw/zinc/06/68/39/840066839.db2.gz ZNLOZPYHOLSRGO-YUMQZZPRSA-N 1 0 257.261 0.708 20 10 CCCDRO CNC(=O)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499800 840067437 /nfs/dbraw/zinc/06/74/37/840067437.db2.gz JMNBYFPCJOFKPP-UHFFFAOYSA-N 1 0 280.324 0.761 20 10 CCCDRO CC(=O)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503990 840068955 /nfs/dbraw/zinc/06/89/55/840068955.db2.gz HGQPHSLDTVBENR-UHFFFAOYSA-N 1 0 266.297 0.468 20 10 CCCDRO CN(C)C(=O)C[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144509473 840071576 /nfs/dbraw/zinc/07/15/76/840071576.db2.gz XHQPFZBNRDRZGQ-UHFFFAOYSA-N 1 0 254.286 0.323 20 10 CCCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509291 840072210 /nfs/dbraw/zinc/07/22/10/840072210.db2.gz RXXYCJGLOPNXLH-SNVBAGLBSA-N 1 0 266.297 0.643 20 10 CCCDRO CN1CC[C@H]([N@H+](C)Cc2c(O)cc(O)cc2O)C1 ZINC001144509556 840073045 /nfs/dbraw/zinc/07/30/45/840073045.db2.gz YWVVRFVZTDUHGS-VIFPVBQESA-N 1 0 252.314 0.939 20 10 CCCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)C1CN(C)C1 ZINC001144516160 840074124 /nfs/dbraw/zinc/07/41/24/840074124.db2.gz RCFOYUUZBKPCNU-UHFFFAOYSA-N 1 0 252.314 0.939 20 10 CCCDRO Cc1cc(Cl)cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205370471 844597822 /nfs/dbraw/zinc/59/78/22/844597822.db2.gz VASLKYCMITYRDO-GHMZBOCLSA-N 1 0 256.733 0.858 20 10 CCCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001178698140 842906268 /nfs/dbraw/zinc/90/62/68/842906268.db2.gz YIYXJHLTBPDAJX-LLVKDONJSA-N 1 0 294.351 0.946 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2c(O)ccc(F)c2Cl)C[C@@H]1O ZINC001206535812 843897262 /nfs/dbraw/zinc/89/72/62/843897262.db2.gz RKACNKRJLZANKF-CPCISQLKSA-N 1 0 274.723 0.936 20 10 CCCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC001276113025 848930941 /nfs/dbraw/zinc/93/09/41/848930941.db2.gz NHSOMVIBJDRWBR-JSGCOSHPSA-N 1 0 278.352 0.921 20 10 CCCDRO CN1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001255413233 853847444 /nfs/dbraw/zinc/84/74/44/853847444.db2.gz YDMAILUQTFCVCZ-MFKMUULPSA-N 1 0 252.314 0.425 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)cc1 ZINC000384790264 853876867 /nfs/dbraw/zinc/87/68/67/853876867.db2.gz PNWNCJAMVSFVCW-CQSZACIVSA-N 1 0 275.352 0.706 20 10 CCCDRO COC(=O)[C@@H]1C[NH+](Cc2ccccc2O)C[C@H]1C(=O)OC ZINC001333841459 919203264 /nfs/dbraw/zinc/20/32/64/919203264.db2.gz OIFDPIDOCZKAMO-VXGBXAGGSA-N 1 0 293.319 0.786 20 10 CCCDRO [NH3+][C@H](CO)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001340231941 922018877 /nfs/dbraw/zinc/01/88/77/922018877.db2.gz FXEKXKFUNXQGOC-GFCCVEGCSA-N 1 0 264.325 0.207 20 10 CCCDRO O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1ccccc1O ZINC001340956196 922293240 /nfs/dbraw/zinc/29/32/40/922293240.db2.gz HQTQWAGOIZKNID-AWEZNQCLSA-N 1 0 264.325 0.513 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)cc1F ZINC001341584043 922567627 /nfs/dbraw/zinc/56/76/27/922567627.db2.gz BVXBQDPXLOQNBQ-NHYWBVRUSA-N 1 0 295.358 0.621 20 10 CCCDRO Nc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC001342022411 922767236 /nfs/dbraw/zinc/76/72/36/922767236.db2.gz OYLWPBBKAIDINB-GFCCVEGCSA-N 1 0 265.382 0.980 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3C[NH3+])C2)cc1 ZINC001342197966 922857759 /nfs/dbraw/zinc/85/77/59/922857759.db2.gz KOUPBCFWNPMJIT-LALPHHSUSA-N 1 0 289.379 0.985 20 10 CCCDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1c(O)cccc1F ZINC001342535292 922992376 /nfs/dbraw/zinc/99/23/76/922992376.db2.gz GRZCZXXJJRSZJN-SNVBAGLBSA-N 1 0 282.315 0.916 20 10 CCCDRO Nc1ccc(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC001342699409 923057494 /nfs/dbraw/zinc/05/74/94/923057494.db2.gz LHXXZXGRVRHQMY-PWSUYJOCSA-N 1 0 251.305 0.833 20 10 CCCDRO O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1c(O)cccc1F ZINC001344821066 923699252 /nfs/dbraw/zinc/69/92/52/923699252.db2.gz DTVQJOMMOWGQRK-AWEZNQCLSA-N 1 0 282.315 0.652 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310905 924928795 /nfs/dbraw/zinc/92/87/95/924928795.db2.gz MTNZWCURCIIQOG-TZMCWYRMSA-N 1 0 289.379 0.739 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001353187695 925756494 /nfs/dbraw/zinc/75/64/94/925756494.db2.gz HRUBKHZMRXZNQJ-UMSPYCQHSA-N 1 0 291.351 0.204 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187666349 351550223 /nfs/dbraw/zinc/55/02/23/351550223.db2.gz HXWBQISJETXQHG-RYUDHWBXSA-N 1 0 267.325 0.718 20 10 CCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000228513116 352075651 /nfs/dbraw/zinc/07/56/51/352075651.db2.gz AHBDXIAKYRCJLU-JTQLQIEISA-N 1 0 279.340 0.073 20 10 CCCDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297453177 200195930 /nfs/dbraw/zinc/19/59/30/200195930.db2.gz XDAHOTQYZNQKSK-LLVKDONJSA-N 1 0 284.381 0.861 20 10 CCCDRO COC[C@@](C)(CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000267374805 389369937 /nfs/dbraw/zinc/36/99/37/389369937.db2.gz QUPILCVIYQMBRJ-CQSZACIVSA-N 1 0 283.324 0.998 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1O ZINC000179898555 389664458 /nfs/dbraw/zinc/66/44/58/389664458.db2.gz PGHUOTROVKUIQM-LLVKDONJSA-N 1 0 264.325 0.902 20 10 CCCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035111349 134788262 /nfs/dbraw/zinc/78/82/62/134788262.db2.gz JNWIQMDAICCYRR-LBPRGKRZSA-N 1 0 250.342 0.994 20 10 CCCDRO CN(C)c1ccc(CN(C)S(=O)(=O)CC[NH3+])cc1 ZINC000032119600 171711229 /nfs/dbraw/zinc/71/12/29/171711229.db2.gz LVAMAWPUZSYFTQ-UHFFFAOYSA-N 1 0 271.386 0.473 20 10 CCCDRO COc1c(O)c(C[N@H+](C)[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000289567909 263110917 /nfs/dbraw/zinc/11/09/17/263110917.db2.gz JIELJUCOCQKDPP-GHMZBOCLSA-N 1 0 298.295 0.501 20 10 CCCDRO COc1cccc(C[NH2+]CCCOCCO)c1O ZINC000227333779 329271969 /nfs/dbraw/zinc/27/19/69/329271969.db2.gz QQGSOYYLTRJPRP-UHFFFAOYSA-N 1 0 255.314 0.889 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000279789855 522304496 /nfs/dbraw/zinc/30/44/96/522304496.db2.gz MFDUOGGYNDBBQC-SNVBAGLBSA-N 1 0 271.313 0.506 20 10 CCCDRO COc1ccc(C[NH2+]CCNS(C)(=O)=O)cc1C ZINC000037241669 524070450 /nfs/dbraw/zinc/07/04/50/524070450.db2.gz SXOYHNFHRFWYDF-UHFFFAOYSA-N 1 0 272.370 0.642 20 10 CCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+](C)C ZINC000276039977 524697276 /nfs/dbraw/zinc/69/72/76/524697276.db2.gz VZBFMGVNTVVQSL-SECBINFHSA-N 1 0 252.314 0.707 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793325454 581295093 /nfs/dbraw/zinc/29/50/93/581295093.db2.gz RHQOVHSZNPGHDK-CYBMUJFWSA-N 1 0 298.358 0.759 20 10 CCCDRO O=C(CO)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000793594829 581303930 /nfs/dbraw/zinc/30/39/30/581303930.db2.gz SBDDLVJWGLQZOR-UHFFFAOYSA-N 1 0 284.743 0.682 20 10 CCCDRO CCOCc1cc(C[NH2+]C[C@H](O)CO)ccc1OC ZINC000785979840 581425366 /nfs/dbraw/zinc/42/53/66/581425366.db2.gz CVJUJOMDZAJSOT-ZDUSSCGKSA-N 1 0 269.341 0.675 20 10 CCCDRO OC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785979626 581426122 /nfs/dbraw/zinc/42/61/22/581426122.db2.gz ABAKHKCQMMPQFG-LBPRGKRZSA-N 1 0 284.331 0.105 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC000754140323 581577622 /nfs/dbraw/zinc/57/76/22/581577622.db2.gz MOZSHXGXEKPHBD-QMMMGPOBSA-N 1 0 278.312 0.673 20 10 CCCDRO COc1cccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c1O ZINC000729858931 581616754 /nfs/dbraw/zinc/61/67/54/581616754.db2.gz GWNAIRUFZODFGR-NSHDSACASA-N 1 0 264.325 0.969 20 10 CCCDRO C[C@@H]([NH2+]CC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775256375 582016826 /nfs/dbraw/zinc/01/68/26/582016826.db2.gz YIWPPLVVQBXCIM-LLVKDONJSA-N 1 0 263.341 0.659 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000894092908 617175506 /nfs/dbraw/zinc/17/55/06/617175506.db2.gz AAXJZHPUEVWGQW-NSHDSACASA-N 1 0 279.340 0.952 20 10 CCCDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000894470309 617176141 /nfs/dbraw/zinc/17/61/41/617176141.db2.gz UQPNWZPSEFXLBG-OAHLLOKOSA-N 1 0 280.368 0.865 20 10 CCCDRO COc1cc(Cl)cc(CN(CC[NH3+])CCO)c1O ZINC000841059334 617196184 /nfs/dbraw/zinc/19/61/84/617196184.db2.gz PVIBWGYQLQZSLT-UHFFFAOYSA-N 1 0 274.748 0.807 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c(O)c1OC ZINC000895433471 617251696 /nfs/dbraw/zinc/25/16/96/617251696.db2.gz NDVKNVXINWFQKH-NHYWBVRUSA-N 1 0 297.351 0.727 20 10 CCCDRO COc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)cc1C ZINC000922540605 617258665 /nfs/dbraw/zinc/25/86/65/617258665.db2.gz TVGPNRHDFLLCBZ-INIZCTEOSA-N 1 0 294.395 0.786 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)c(O)c1 ZINC000876910987 617255960 /nfs/dbraw/zinc/25/59/60/617255960.db2.gz RSVANIXFZVCJJD-IUODEOHRSA-N 1 0 294.351 0.784 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c(O)c1 ZINC000832177817 617256043 /nfs/dbraw/zinc/25/60/43/617256043.db2.gz HBPIXDNBKCPMNC-CYBMUJFWSA-N 1 0 268.288 0.719 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)[C@H](C)O)CC2)cc1 ZINC000865739367 617267585 /nfs/dbraw/zinc/26/75/85/617267585.db2.gz VDCWPDJKISILNC-LRDDRELGSA-N 1 0 294.395 0.995 20 10 CCCDRO COc1ccc(N2CC[NH+](CCn3cnnn3)CC2)cc1 ZINC000877912186 617267777 /nfs/dbraw/zinc/26/77/77/617267777.db2.gz LMQJZSZHQPAAPM-UHFFFAOYSA-N 1 0 288.355 0.504 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C[NH3+])OC)c1 ZINC000828667525 617274121 /nfs/dbraw/zinc/27/41/21/617274121.db2.gz RWFIZSRBBUEAIY-GXSJLCMTSA-N 1 0 282.340 0.942 20 10 CCCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000897619387 617272789 /nfs/dbraw/zinc/27/27/89/617272789.db2.gz VNLRYFWLCMKOTF-TXEJJXNPSA-N 1 0 297.376 0.877 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000839153293 617272938 /nfs/dbraw/zinc/27/29/38/617272938.db2.gz FAESCQJETOMURK-CQSZACIVSA-N 1 0 267.325 0.720 20 10 CCCDRO COc1cccc(C[N@@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877644326 617297185 /nfs/dbraw/zinc/29/71/85/617297185.db2.gz NHAGAZGVFFDFLB-LBPRGKRZSA-N 1 0 266.341 0.509 20 10 CCCDRO COc1cccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000132639842 617297525 /nfs/dbraw/zinc/29/75/25/617297525.db2.gz LJLLYRWCMNFGQQ-MFKMUULPSA-N 1 0 266.341 0.949 20 10 CCCDRO CC(=O)NCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000842635747 613735798 /nfs/dbraw/zinc/73/57/98/613735798.db2.gz QQOXIMKEIZEWGK-ZDUSSCGKSA-N 1 0 280.324 0.386 20 10 CCCDRO CC(=O)N[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286386 614097536 /nfs/dbraw/zinc/09/75/36/614097536.db2.gz ZCBGUICLQHTCAC-YGRLFVJLSA-N 1 0 292.383 0.393 20 10 CCCDRO CCN(OC)C(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000842768759 615075922 /nfs/dbraw/zinc/07/59/22/615075922.db2.gz UKZUHEUVIGZNDL-UHFFFAOYSA-N 1 0 268.313 0.900 20 10 CCCDRO CC[NH2+]CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851639921 615079384 /nfs/dbraw/zinc/07/93/84/615079384.db2.gz NCWISKGKWCCKDJ-GFCCVEGCSA-N 1 0 277.368 1.000 20 10 CCCDRO CCOCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292509 615231804 /nfs/dbraw/zinc/23/18/04/615231804.db2.gz HVIPOQYQBOMMGZ-CYBMUJFWSA-N 1 0 265.357 0.905 20 10 CCCDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)c(O)c1 ZINC000865666225 615511281 /nfs/dbraw/zinc/51/12/81/615511281.db2.gz CRUVNTKMNKRZBL-YPMHNXCESA-N 1 0 253.298 0.640 20 10 CCCDRO C[NH+](C)C1(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910945404 615843951 /nfs/dbraw/zinc/84/39/51/615843951.db2.gz VCLGCKABHXHKNC-UHFFFAOYSA-N 1 0 250.298 0.808 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000846672644 615911218 /nfs/dbraw/zinc/91/12/18/615911218.db2.gz IJRIHNLMCZQFLI-CQSZACIVSA-N 1 0 278.400 0.648 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000844219183 616014986 /nfs/dbraw/zinc/01/49/86/616014986.db2.gz HCGIDNFQIHBQBB-AWEZNQCLSA-N 1 0 290.411 0.649 20 10 CCCDRO C[N@H+](CCS(N)(=O)=O)Cc1cc2c(cc1O)CCCC2 ZINC000872820707 616121710 /nfs/dbraw/zinc/12/17/10/616121710.db2.gz CSLXMJZZUPUJBY-UHFFFAOYSA-N 1 0 298.408 0.991 20 10 CCCDRO CN1CCCc2cc(CNC(=O)NCC[NH3+])ccc21 ZINC000841758224 616219809 /nfs/dbraw/zinc/21/98/09/616219809.db2.gz GCLKBHIEDLGMNC-UHFFFAOYSA-N 1 0 262.357 0.827 20 10 CCCDRO CN1CCN(C(=O)c2cccc(O)c2O)CC[N@H+](C)CC1 ZINC000888986378 616236136 /nfs/dbraw/zinc/23/61/36/616236136.db2.gz DQUMKICQFUFDOB-UHFFFAOYSA-N 1 0 293.367 0.417 20 10 CCCDRO CN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C[NH3+])C1 ZINC000843120385 616245220 /nfs/dbraw/zinc/24/52/20/616245220.db2.gz IEIZJPDQUXKNKG-NSHDSACASA-N 1 0 279.340 0.196 20 10 CCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000832178892 616569025 /nfs/dbraw/zinc/56/90/25/616569025.db2.gz ZJPCFYOAQXFHCQ-LLVKDONJSA-N 1 0 296.323 0.298 20 10 CCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000825973967 616692972 /nfs/dbraw/zinc/69/29/72/616692972.db2.gz VZHHGUDVKUKHQC-LBPRGKRZSA-N 1 0 279.340 0.259 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122020 616743418 /nfs/dbraw/zinc/74/34/18/616743418.db2.gz KWLSAYXKAYVMRQ-MRXNPFEDSA-N 1 0 294.395 0.745 20 10 CCCDRO C[NH2+]CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754021 616937421 /nfs/dbraw/zinc/93/74/21/616937421.db2.gz RYHAVUDFDKBALV-GFCCVEGCSA-N 1 0 277.368 0.857 20 10 CCCDRO C[NH2+]CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851640568 616937478 /nfs/dbraw/zinc/93/74/78/616937478.db2.gz YFAJWUPJPNPJIA-NSHDSACASA-N 1 0 263.341 0.610 20 10 CCCDRO COC(=O)c1cn(CC[NH2+]Cc2ccc(C)cc2O)nn1 ZINC000877508088 616958069 /nfs/dbraw/zinc/95/80/69/616958069.db2.gz RWBGXGQIWFCXAB-UHFFFAOYSA-N 1 0 290.323 0.869 20 10 CCCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000851682150 616976427 /nfs/dbraw/zinc/97/64/27/616976427.db2.gz SJJNYHIYLGPDMQ-SECBINFHSA-N 1 0 267.329 0.808 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(F)ccc1O ZINC000877688509 617011849 /nfs/dbraw/zinc/01/18/49/617011849.db2.gz CEEWDTZWKPIODB-UHFFFAOYSA-N 1 0 276.333 0.560 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865706890 617012259 /nfs/dbraw/zinc/01/22/59/617012259.db2.gz KHLZYMBIRHOIHQ-UHFFFAOYSA-N 1 0 284.381 0.650 20 10 CCCDRO [NH3+]C1(CNC(=O)N2Cc3cccc(O)c3C2)CCOCC1 ZINC000892279002 622767586 /nfs/dbraw/zinc/76/75/86/622767586.db2.gz KAEGARYOGAYQJD-UHFFFAOYSA-N 1 0 291.351 0.925 20 10 CCCDRO Cc1cccc(CN2CCC[C@]([NH3+])(CO)C2)c1O ZINC000904402780 634742151 /nfs/dbraw/zinc/74/21/51/634742151.db2.gz SFXBLZHYXWHGRP-CQSZACIVSA-N 1 0 250.342 0.986 20 10 CCCDRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(F)ccc1O ZINC000927021248 633577336 /nfs/dbraw/zinc/57/73/36/633577336.db2.gz BJZYIDWYUFNSMA-WPRPVWTQSA-N 1 0 291.344 0.587 20 10 CCCDRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1Cc2cccc(O)c2C1 ZINC000899172669 633750991 /nfs/dbraw/zinc/75/09/91/633750991.db2.gz FUXUYECRSPNOGL-CYBMUJFWSA-N 1 0 288.347 0.955 20 10 CCCDRO C[C@]1(C(=O)NCCc2ccc(N)cc2)C[C@@H](O)C[NH2+]1 ZINC000911783248 636377801 /nfs/dbraw/zinc/37/78/01/636377801.db2.gz SBMYJDXUILOJJX-TZMCWYRMSA-N 1 0 263.341 0.040 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CCC[NH2+]CC2)cc1 ZINC000061273660 637111413 /nfs/dbraw/zinc/11/14/13/637111413.db2.gz RDOWEQJSVFUULZ-UHFFFAOYSA-N 1 0 290.411 0.664 20 10 CCCDRO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839617328 640346209 /nfs/dbraw/zinc/34/62/09/640346209.db2.gz ICWODRRBOLIUST-IUODEOHRSA-N 1 0 291.395 0.824 20 10 CCCDRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccccc1O ZINC000843488767 643074712 /nfs/dbraw/zinc/07/47/12/643074712.db2.gz OOCMXBPLVOSLDU-LBPRGKRZSA-N 1 0 264.325 0.777 20 10 CCCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC(=O)CS1 ZINC000844148942 643163316 /nfs/dbraw/zinc/16/33/16/643163316.db2.gz KHNVTZRCNUIIBO-VIFPVBQESA-N 1 0 297.380 0.646 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846665193 643438870 /nfs/dbraw/zinc/43/88/70/643438870.db2.gz HVJJKBMGNJFLPB-WFASDCNBSA-N 1 0 275.352 0.164 20 10 CCCDRO O=C1CN(CCC[NH2+]Cc2c(O)cccc2Cl)CCN1 ZINC000848557228 643652384 /nfs/dbraw/zinc/65/23/84/643652384.db2.gz IACGEGQYTMXJOJ-UHFFFAOYSA-N 1 0 297.786 0.957 20 10 CCCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1(O)C[NH2+]C1 ZINC000852884764 644042169 /nfs/dbraw/zinc/04/21/69/644042169.db2.gz OGFRLQNXTCIZRV-UHFFFAOYSA-N 1 0 276.336 0.222 20 10 CCCDRO Oc1cc2c(cc1CN1CCOC3(C[NH2+]C3)C1)OCO2 ZINC000853250022 644094941 /nfs/dbraw/zinc/09/49/41/644094941.db2.gz YNKGNPMHKIONRB-UHFFFAOYSA-N 1 0 278.308 0.295 20 10 CCCDRO C[C@H]([NH3+])CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863567948 645107477 /nfs/dbraw/zinc/10/74/77/645107477.db2.gz HIICVBJITCRUTI-ZDUSSCGKSA-N 1 0 292.427 0.990 20 10 CCCDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865738685 645406421 /nfs/dbraw/zinc/40/64/21/645406421.db2.gz JEHIWPDTOMGKEB-ZANVPECISA-N 1 0 256.321 0.723 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876527875 646619551 /nfs/dbraw/zinc/61/95/51/646619551.db2.gz MMGHOPUYOXEWCR-DGCLKSJQSA-N 1 0 265.332 0.875 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000876657759 646639234 /nfs/dbraw/zinc/63/92/34/646639234.db2.gz JQPZERPRTCEIQG-LBPRGKRZSA-N 1 0 250.298 0.387 20 10 CCCDRO Cc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)c(O)c1 ZINC000877183725 646751426 /nfs/dbraw/zinc/75/14/26/646751426.db2.gz HMEJMBUSQKNRDP-UHFFFAOYSA-N 1 0 274.324 0.943 20 10 CCCDRO C[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccccc1O ZINC000877255651 646770830 /nfs/dbraw/zinc/77/08/30/646770830.db2.gz GOZGTGPAOCBPIP-GAFUQQFSSA-N 1 0 264.325 0.933 20 10 CCCDRO C[C@@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccccc1O ZINC000931555252 649005369 /nfs/dbraw/zinc/00/53/69/649005369.db2.gz WBFQRLWCUIINFK-TYNCELHUSA-N 1 0 281.352 0.945 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1COCCO1)OCO2 ZINC000042880308 649288732 /nfs/dbraw/zinc/28/87/32/649288732.db2.gz PFHIBWSHGUPQKR-JTQLQIEISA-N 1 0 267.281 0.626 20 10 CCCDRO COC[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000159107701 649315683 /nfs/dbraw/zinc/31/56/83/649315683.db2.gz HHYQXUWOTCZPOS-AWEZNQCLSA-N 1 0 293.367 0.318 20 10 CCCDRO NC(=O)C1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000191485202 649479871 /nfs/dbraw/zinc/47/98/71/649479871.db2.gz PAWJDJYZICGKIS-UHFFFAOYSA-N 1 0 250.254 0.228 20 10 CCCDRO COc1cc(N(C)C)ccc1CN1CCO[C@@H](C(N)=O)C1 ZINC001231855651 805862891 /nfs/dbraw/zinc/86/28/91/805862891.db2.gz XTKYHDADVATOGU-CQSZACIVSA-N 1 0 293.367 0.447 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(OC)c1 ZINC001277589242 805869285 /nfs/dbraw/zinc/86/92/85/805869285.db2.gz YAOUSJHIXVGYLB-RFAUZJTJSA-N 1 0 292.335 0.717 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(O)c(O)cc2O)CCN1C ZINC001233486710 806061226 /nfs/dbraw/zinc/06/12/26/806061226.db2.gz YQGPYRPRVNQKRC-SNVBAGLBSA-N 1 0 296.323 0.092 20 10 CCCDRO CC(C)(O)C[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487818 806064271 /nfs/dbraw/zinc/06/42/71/806064271.db2.gz SYASTNNWNQEZAW-UHFFFAOYSA-N 1 0 296.367 0.692 20 10 CCCDRO CN(C)c1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234991833 806338410 /nfs/dbraw/zinc/33/84/10/806338410.db2.gz QCYQGXVESXTPHI-INIZCTEOSA-N 1 0 290.411 0.596 20 10 CCCDRO CCOc1cccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235052902 806355643 /nfs/dbraw/zinc/35/56/43/806355643.db2.gz RFUUNWXYTYFLSA-INIZCTEOSA-N 1 0 291.395 0.928 20 10 CCCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(O)cc(O)cc1O)C2 ZINC001235990448 806522562 /nfs/dbraw/zinc/52/25/62/806522562.db2.gz NAAVSHRSPRFEBI-AMIZOPFISA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1O ZINC001236056585 806538982 /nfs/dbraw/zinc/53/89/82/806538982.db2.gz KCAICSHKDLEUCT-ZDUSSCGKSA-N 1 0 293.367 0.405 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(C)cccc1O ZINC001236058724 806540740 /nfs/dbraw/zinc/54/07/40/806540740.db2.gz ULSRAUFTWIXTNW-LBPRGKRZSA-N 1 0 264.325 0.647 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(F)c1O ZINC001236195792 806547731 /nfs/dbraw/zinc/54/77/31/806547731.db2.gz IPOFAMPKQHJAAB-KOLCDFICSA-N 1 0 268.288 0.606 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(C)cc1O ZINC001236197986 806549535 /nfs/dbraw/zinc/54/95/35/806549535.db2.gz LPFMGSMIMGYFRS-RYUDHWBXSA-N 1 0 264.325 0.775 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N(C)C)cc1O ZINC001236202910 806555483 /nfs/dbraw/zinc/55/54/83/806555483.db2.gz YERQHURPUJJIAA-YPMHNXCESA-N 1 0 293.367 0.533 20 10 CCCDRO CN1CCOc2cc(CN3C[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001236288777 806560937 /nfs/dbraw/zinc/56/09/37/806560937.db2.gz IZUXJQBXRCMQAA-JSGCOSHPSA-N 1 0 259.353 0.919 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1[NH3+] ZINC001236343387 806573737 /nfs/dbraw/zinc/57/37/37/806573737.db2.gz PITYZNSUZXZWEY-UWVGGRQHSA-N 1 0 266.297 0.030 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(O)c(C)c2O)C[C@H]1[NH3+] ZINC001236351331 806582947 /nfs/dbraw/zinc/58/29/47/806582947.db2.gz UJPFNTZNGAGCJP-WDEREUQCSA-N 1 0 280.324 0.338 20 10 CCCDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677438 798912432 /nfs/dbraw/zinc/91/24/32/798912432.db2.gz QLPFFECHZBVOTM-CQSZACIVSA-N 1 0 278.356 0.135 20 10 CCCDRO Cc1ccc(O)c(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)c1 ZINC001123939174 799510685 /nfs/dbraw/zinc/51/06/85/799510685.db2.gz IRNBXFDPQJQCCN-TZMCWYRMSA-N 1 0 289.379 0.705 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)CO ZINC001139407830 799809486 /nfs/dbraw/zinc/80/94/86/799809486.db2.gz MVSBXNFIMCTZNF-INIZCTEOSA-N 1 0 293.411 0.223 20 10 CCCDRO CCN(Cc1ccccc1O)S(=O)(=O)CC[NH3+] ZINC001239110434 806852597 /nfs/dbraw/zinc/85/25/97/806852597.db2.gz GTWQODFBMODSSQ-UHFFFAOYSA-N 1 0 258.343 0.503 20 10 CCCDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160872674 802037396 /nfs/dbraw/zinc/03/73/96/802037396.db2.gz OVBQWHHTVAKHFM-YUNKPMOVSA-N 1 0 296.392 0.373 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C[NH3+] ZINC001161134546 802097872 /nfs/dbraw/zinc/09/78/72/802097872.db2.gz CADKYMUWWPBTOH-ZDUSSCGKSA-N 1 0 264.373 0.387 20 10 CCCDRO CN(C)Cc1c(F)cc(N(CC[NH3+])CCO)cc1F ZINC001163836649 802622923 /nfs/dbraw/zinc/62/29/23/802622923.db2.gz YNRZIPPEGXDEBZ-UHFFFAOYSA-N 1 0 273.327 0.784 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001203589046 803036307 /nfs/dbraw/zinc/03/63/07/803036307.db2.gz BXJMKOBQSVIALC-DZGCQCFKSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(CN2CC3(C2)CS(=O)C3)c(O)c1 ZINC001203620443 803036639 /nfs/dbraw/zinc/03/66/39/803036639.db2.gz FRLSVDMKVMPIPU-UHFFFAOYSA-N 1 0 267.350 0.965 20 10 CCCDRO COc1ccc(CN2CC(N3CC[NH+](C)CC3)C2)c(O)c1 ZINC001203634846 803040311 /nfs/dbraw/zinc/04/03/11/803040311.db2.gz XVVJRWMWCXUISB-UHFFFAOYSA-N 1 0 291.395 0.832 20 10 CCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275839 803074499 /nfs/dbraw/zinc/07/44/99/803074499.db2.gz CSQHMLNOBDRBNS-NHYWBVRUSA-N 1 0 293.319 0.719 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1OC ZINC001204271645 803075561 /nfs/dbraw/zinc/07/55/61/803075561.db2.gz AYFJRBRTXNIDLP-BETUJISGSA-N 1 0 253.298 0.943 20 10 CCCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277701 803076254 /nfs/dbraw/zinc/07/62/54/803076254.db2.gz IPDHCGKACBEHCP-UHFFFAOYSA-N 1 0 281.308 0.598 20 10 CCCDRO Cc1ccc(C)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206092464 803205984 /nfs/dbraw/zinc/20/59/84/803205984.db2.gz HVSSZLMTPGHAGC-CHWSQXEVSA-N 1 0 250.342 0.903 20 10 CCCDRO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CSC2=S)C[NH2+]1 ZINC001219582345 804357483 /nfs/dbraw/zinc/35/74/83/804357483.db2.gz BVHHTNKZOTTYQV-YUMQZZPRSA-N 1 0 287.410 0.103 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c(O)c1 ZINC001220825449 804674755 /nfs/dbraw/zinc/67/47/55/804674755.db2.gz IAPADHHHIFVENZ-IOASZLSFSA-N 1 0 289.379 0.847 20 10 CCCDRO Oc1ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1O ZINC001222492192 804905698 /nfs/dbraw/zinc/90/56/98/804905698.db2.gz QJKUTBBXAJCZLL-STQMWFEESA-N 1 0 277.368 0.624 20 10 CCCDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253701112 808120874 /nfs/dbraw/zinc/12/08/74/808120874.db2.gz KIYNBTQJPKEPSV-CYBMUJFWSA-N 1 0 297.351 0.933 20 10 CCCDRO NS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001260084418 808850565 /nfs/dbraw/zinc/85/05/65/808850565.db2.gz OLIYSEZUBYEMKF-UHFFFAOYSA-N 1 0 285.369 0.150 20 10 CCCDRO C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1ccccc1O ZINC001262009660 809154177 /nfs/dbraw/zinc/15/41/77/809154177.db2.gz FKISREKHUHQDPI-DTWKUNHWSA-N 1 0 263.297 0.673 20 10 CCCDRO C[N@@H+]1CCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001270575371 813819658 /nfs/dbraw/zinc/81/96/58/813819658.db2.gz LDXRDOZCSLCKNQ-UHFFFAOYSA-N 1 0 276.336 0.804 20 10 CCCDRO Cc1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986341 816789960 /nfs/dbraw/zinc/78/99/60/816789960.db2.gz JVJOMRLVPDINBS-OAHLLOKOSA-N 1 0 261.369 0.838 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1N ZINC001236348887 817279504 /nfs/dbraw/zinc/27/95/04/817279504.db2.gz NHYJRJODWYNVTA-STQMWFEESA-N 1 0 278.352 0.941 20 10 CCCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2O)C1 ZINC000701541785 818976863 /nfs/dbraw/zinc/97/68/63/818976863.db2.gz BWQUIQHJBPJALM-BXUZGUMPSA-N 1 0 264.325 0.775 20 10 CCCDRO CN1CC[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1O ZINC001185262553 844386003 /nfs/dbraw/zinc/38/60/03/844386003.db2.gz NUTXWXVCIZUWNG-GFCCVEGCSA-N 1 0 263.341 0.254 20 10 CCCDRO CCOC(=O)CN(C)Cc1c(O)cc(O)cc1O ZINC001144503798 840068316 /nfs/dbraw/zinc/06/83/16/840068316.db2.gz DEWWHERPSUMLMQ-UHFFFAOYSA-N 1 0 255.270 0.798 20 10 CCCDRO COCCN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503761 840069552 /nfs/dbraw/zinc/06/95/52/840069552.db2.gz CBWNGYCBIYZQNF-UHFFFAOYSA-N 1 0 282.340 0.567 20 10 CCCDRO CN1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1=O ZINC001144508855 840071960 /nfs/dbraw/zinc/07/19/60/840071960.db2.gz AXRZWFDERHWNLD-UHFFFAOYSA-N 1 0 266.297 0.468 20 10 CCCDRO CC(=O)N1CC[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]1C ZINC001144515169 840073715 /nfs/dbraw/zinc/07/37/15/840073715.db2.gz GKQZFJCELYHGJW-SECBINFHSA-N 1 0 280.324 0.856 20 10 CCCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(Cl)c1 ZINC001205357792 844556079 /nfs/dbraw/zinc/55/60/79/844556079.db2.gz HKXSEKRDAWCINM-CHWSQXEVSA-N 1 0 269.776 0.910 20 10 CCCDRO C[N@@H+]1CC[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001178912918 842938518 /nfs/dbraw/zinc/93/85/18/842938518.db2.gz ZENXWJXPYKEERV-VIFPVBQESA-N 1 0 250.298 0.666 20 10 CCCDRO O=C(NCC[NH2+]CCO)c1ccc(O)c(O)c1Cl ZINC001193236662 846030345 /nfs/dbraw/zinc/03/03/45/846030345.db2.gz LTNOULQFNYYUGX-UHFFFAOYSA-N 1 0 274.704 0.063 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205973304 848201989 /nfs/dbraw/zinc/20/19/89/848201989.db2.gz NNGBXEGTNHUKQJ-ZYHUDNBSSA-N 1 0 282.340 0.303 20 10 CCCDRO COC[C@@]1(C(=O)NCc2ccccc2O)CC[NH2+]C1 ZINC000388667459 853978725 /nfs/dbraw/zinc/97/87/25/853978725.db2.gz BIPSYSSCZLQVEJ-CQSZACIVSA-N 1 0 264.325 0.635 20 10 CCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329953283 916309940 /nfs/dbraw/zinc/30/99/40/916309940.db2.gz SJURFINGTNECRR-MWLCHTKSSA-N 1 0 289.335 0.183 20 10 CCCDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331193475 917171924 /nfs/dbraw/zinc/17/19/24/917171924.db2.gz VLVWTFJBIYZYDP-SNVBAGLBSA-N 1 0 291.351 0.349 20 10 CCCDRO Nc1ccc(NC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1 ZINC001343022642 923168777 /nfs/dbraw/zinc/16/87/77/923168777.db2.gz RLCFUAHBUHCXSM-SECBINFHSA-N 1 0 274.324 0.028 20 10 CCCDRO [NH3+]C[C@H](O)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001343556676 923372982 /nfs/dbraw/zinc/37/29/82/923372982.db2.gz DSSKOWWJWNJCIK-LLVKDONJSA-N 1 0 278.352 0.597 20 10 CCCDRO CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)c1ccc(N)cc1 ZINC001354438495 926109123 /nfs/dbraw/zinc/10/91/23/926109123.db2.gz XNZAIWVYQLJAIS-ZDUSSCGKSA-N 1 0 290.367 0.429 20 10 CCCDRO COCC[NH2+]CC(=O)NCc1c(O)cccc1F ZINC001358168218 926648892 /nfs/dbraw/zinc/64/88/92/926648892.db2.gz PQJQPRVHSQBCOH-UHFFFAOYSA-N 1 0 256.277 0.384 20 10 CCCDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001443716399 929683650 /nfs/dbraw/zinc/68/36/50/929683650.db2.gz GJAXZRQTKCDSQA-UHFFFAOYSA-N 1 0 296.367 0.677 20 10 CCCDRO OCCOCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227333786 352045154 /nfs/dbraw/zinc/04/51/54/352045154.db2.gz BSQZCGBAHULXMK-UHFFFAOYSA-N 1 0 269.297 0.610 20 10 CCCDRO CCOc1ccc(O)c(C[NH+]2CCN(CCO)CC2)c1 ZINC000269369560 352830984 /nfs/dbraw/zinc/83/09/84/352830984.db2.gz SFAALOZDUGBKOI-UHFFFAOYSA-N 1 0 280.368 0.901 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000271377799 353033212 /nfs/dbraw/zinc/03/32/12/353033212.db2.gz REACTSOQCATGHX-JTQLQIEISA-N 1 0 265.313 0.643 20 10 CCCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295382406 353893198 /nfs/dbraw/zinc/89/31/98/353893198.db2.gz XQXINCKDUUUZLK-VIFPVBQESA-N 1 0 298.314 0.687 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000371464004 357370593 /nfs/dbraw/zinc/37/05/93/357370593.db2.gz NHACBQROPLTMTO-GFCCVEGCSA-N 1 0 284.381 0.906 20 10 CCCDRO CC(=O)NC[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180164568 389666054 /nfs/dbraw/zinc/66/60/54/389666054.db2.gz AWPMSQRAXRVBLD-ZDUSSCGKSA-N 1 0 282.315 0.868 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCNS(C)(=O)=O)cc1 ZINC000020202863 171066668 /nfs/dbraw/zinc/06/66/68/171066668.db2.gz XCXMXDYGMIXBNS-UHFFFAOYSA-N 1 0 271.386 0.391 20 10 CCCDRO CCN(CCO)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000184543550 262022894 /nfs/dbraw/zinc/02/28/94/262022894.db2.gz KXMCIKSKJSGVSK-UHFFFAOYSA-N 1 0 282.340 0.525 20 10 CCCDRO COc1ccc(N2CC[NH+](CCCNC(N)=O)CC2)cc1 ZINC000194622929 262240130 /nfs/dbraw/zinc/24/01/30/262240130.db2.gz XFFYAWFFQAFHGK-UHFFFAOYSA-N 1 0 292.383 0.876 20 10 CCCDRO OCc1cn(CCC[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000289932546 264746424 /nfs/dbraw/zinc/74/64/24/264746424.db2.gz TXFAIRCUYNUAJS-UHFFFAOYSA-N 1 0 288.351 0.885 20 10 CCCDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1O ZINC000179902788 329213602 /nfs/dbraw/zinc/21/36/02/329213602.db2.gz FZINUOIDIWRMKB-SNVBAGLBSA-N 1 0 272.370 0.982 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000188543405 329369662 /nfs/dbraw/zinc/36/96/62/329369662.db2.gz WYSWOBVMYQQOCI-UHFFFAOYSA-N 1 0 258.343 0.339 20 10 CCCDRO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262153433 330000827 /nfs/dbraw/zinc/00/08/27/330000827.db2.gz RLMDVJJAIOOLLD-QWHCGFSZSA-N 1 0 250.342 0.674 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)C1CC1)OCO2 ZINC000071303221 526336589 /nfs/dbraw/zinc/33/65/89/526336589.db2.gz JJBWKWNVZHSMDT-NSHDSACASA-N 1 0 251.282 0.981 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793325456 581295116 /nfs/dbraw/zinc/29/51/16/581295116.db2.gz RHQOVHSZNPGHDK-ZDUSSCGKSA-N 1 0 298.358 0.759 20 10 CCCDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769563048 581696643 /nfs/dbraw/zinc/69/66/43/581696643.db2.gz GDFQSKLWIDCBOT-PHIMTYICSA-N 1 0 257.717 0.973 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000771815867 581824461 /nfs/dbraw/zinc/82/44/61/581824461.db2.gz DNJZRESWVZOJQB-HNNXBMFYSA-N 1 0 291.395 0.729 20 10 CCCDRO CCOc1cccc(C[NH2+]CCc2nnnn2C)c1O ZINC000771875164 581832013 /nfs/dbraw/zinc/83/20/13/581832013.db2.gz DUALRGIASXICPW-UHFFFAOYSA-N 1 0 277.328 0.647 20 10 CCCDRO O=C1NC(=O)C2(CC[NH+](Cc3ccccc3O)CC2)N1 ZINC000761215839 581897265 /nfs/dbraw/zinc/89/72/65/581897265.db2.gz JFCFUYDZAZZVQM-UHFFFAOYSA-N 1 0 275.308 0.566 20 10 CCCDRO COc1c(O)c(C[NH2+]C2(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000775059038 582010954 /nfs/dbraw/zinc/01/09/54/582010954.db2.gz IGKTUQCQLVDBDI-UHFFFAOYSA-N 1 0 281.268 0.417 20 10 CCCDRO C[C@@H]([NH3+])CN(C)C(=O)NCCc1ccc(N)cc1 ZINC000861641427 617173804 /nfs/dbraw/zinc/17/38/04/617173804.db2.gz RYECMYXOWHFERN-SNVBAGLBSA-N 1 0 250.346 0.800 20 10 CCCDRO COc1cc(C)cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1O ZINC000895142770 617175102 /nfs/dbraw/zinc/17/51/02/617175102.db2.gz VLSHPYHRWRCWNJ-CQSZACIVSA-N 1 0 292.379 0.960 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCN2CCNC2=O)c1O ZINC000895812732 617175541 /nfs/dbraw/zinc/17/55/41/617175541.db2.gz YJJXOOJGRGVNGL-UHFFFAOYSA-N 1 0 279.340 0.824 20 10 CCCDRO COc1cc(Cl)cc(C[NH+](CCO)CCO)c1O ZINC000862429198 617196225 /nfs/dbraw/zinc/19/62/25/617196225.db2.gz DTBAFNVBPPHRSM-UHFFFAOYSA-N 1 0 275.732 0.841 20 10 CCCDRO COc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)c(O)c1 ZINC000852891852 617253138 /nfs/dbraw/zinc/25/31/38/617253138.db2.gz ZQLOOXHMHATKIL-JTQLQIEISA-N 1 0 279.296 0.121 20 10 CCCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1C ZINC000886243180 617260379 /nfs/dbraw/zinc/26/03/79/617260379.db2.gz QHVORTHSEQAXNJ-XYYAHUGASA-N 1 0 251.326 0.977 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@@H](C)O)CC2)cc1F ZINC000929820211 617267916 /nfs/dbraw/zinc/26/79/16/617267916.db2.gz ASSCWEFCAKXCIW-RISCZKNCSA-N 1 0 298.358 0.698 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)C[NH2+]CCO2)c1 ZINC000876878679 617274211 /nfs/dbraw/zinc/27/42/11/617274211.db2.gz JCDASEZFWCODIK-BONVTDFDSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCN2CCNC2=O)c1 ZINC000895814941 617273212 /nfs/dbraw/zinc/27/32/12/617273212.db2.gz UYSZVKOGGXVWIE-UHFFFAOYSA-N 1 0 265.313 0.516 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877721185 617297733 /nfs/dbraw/zinc/29/77/33/617297733.db2.gz ZHGDMXSAQZXCER-PHIMTYICSA-N 1 0 290.319 0.447 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1O ZINC000825016363 617297893 /nfs/dbraw/zinc/29/78/93/617297893.db2.gz BSSRFRHOWPOGFN-ZYHUDNBSSA-N 1 0 253.298 0.592 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1O ZINC000846163160 617309110 /nfs/dbraw/zinc/30/91/10/617309110.db2.gz LDKDOJIEJZRHPC-VIFPVBQESA-N 1 0 293.323 0.603 20 10 CCCDRO CC(=O)C(=O)COC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000808550367 613658662 /nfs/dbraw/zinc/65/86/62/613658662.db2.gz JXGHJFBQQAOUHF-LLVKDONJSA-N 1 0 255.314 0.952 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1F ZINC000852866524 615013255 /nfs/dbraw/zinc/01/32/55/615013255.db2.gz JLIRUXGCAKXFQF-UHFFFAOYSA-N 1 0 295.358 0.622 20 10 CCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852916930 615079087 /nfs/dbraw/zinc/07/90/87/615079087.db2.gz UBWJBINKKMARHL-UHFFFAOYSA-N 1 0 291.395 0.873 20 10 CCCDRO CCc1cccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000848916182 615682885 /nfs/dbraw/zinc/68/28/85/615682885.db2.gz QKVQQPJOUAHMOX-TXEJJXNPSA-N 1 0 274.320 0.659 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000841651788 616015267 /nfs/dbraw/zinc/01/52/67/616015267.db2.gz AZKCTFMEPGLANJ-GFCCVEGCSA-N 1 0 262.357 0.914 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[NH2+]CCO2)cc1F ZINC000876742405 616015678 /nfs/dbraw/zinc/01/56/78/616015678.db2.gz XTXJQNUNHPUMIE-HNNXBMFYSA-N 1 0 295.358 0.886 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000886255994 616016095 /nfs/dbraw/zinc/01/60/95/616016095.db2.gz SDIAYZNVGXTYLX-ZOZIMZAQSA-N 1 0 268.332 0.866 20 10 CCCDRO C[N@H+](CCS(N)(=O)=O)Cc1c(O)ccc2ccncc21 ZINC000872822110 616121039 /nfs/dbraw/zinc/12/10/39/616121039.db2.gz UZOHYEFNPSJOIZ-UHFFFAOYSA-N 1 0 295.364 0.661 20 10 CCCDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910945971 616373616 /nfs/dbraw/zinc/37/36/16/616373616.db2.gz GMIVQTAOWYGCPP-JTQLQIEISA-N 1 0 250.298 0.666 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726876 616472282 /nfs/dbraw/zinc/47/22/82/616472282.db2.gz YTPDSDULWHXXFI-ABAIWWIYSA-N 1 0 276.336 0.690 20 10 CCCDRO COCCOCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298737 616528408 /nfs/dbraw/zinc/52/84/08/616528408.db2.gz OHTQYLLGKVHJMH-AWEZNQCLSA-N 1 0 295.383 0.532 20 10 CCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000827209598 616568241 /nfs/dbraw/zinc/56/82/41/616568241.db2.gz AZNKYBIJSZBZSP-LLVKDONJSA-N 1 0 280.324 0.631 20 10 CCCDRO COCC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876567429 616582941 /nfs/dbraw/zinc/58/29/41/616582941.db2.gz LBGJLMIZUKNMIP-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000877706237 616597330 /nfs/dbraw/zinc/59/73/30/616597330.db2.gz IFOWPRLQUINYRZ-UHFFFAOYSA-N 1 0 286.715 0.424 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000877707117 616597528 /nfs/dbraw/zinc/59/75/28/616597528.db2.gz XIWDLDUZFWEXKB-UHFFFAOYSA-N 1 0 280.324 0.388 20 10 CCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccccc1O ZINC000843122718 616692125 /nfs/dbraw/zinc/69/21/25/616692125.db2.gz DMZYQZWEIQCXIQ-GFCCVEGCSA-N 1 0 264.325 0.729 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843434719 616706895 /nfs/dbraw/zinc/70/68/95/616706895.db2.gz MUEPYKNPTJPSFD-NWDGAFQWSA-N 1 0 295.335 0.757 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000895706147 616787821 /nfs/dbraw/zinc/78/78/21/616787821.db2.gz DDTDMUVCBVOGJJ-AWEZNQCLSA-N 1 0 281.308 0.511 20 10 CCCDRO C[NH2+]CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697812 616936237 /nfs/dbraw/zinc/93/62/37/616936237.db2.gz WNYSHGNPPOJHHE-UHFFFAOYSA-N 1 0 265.357 0.809 20 10 CCCDRO C[NH2+]CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841034133 616962412 /nfs/dbraw/zinc/96/24/12/616962412.db2.gz BEKIEQIGZMGHIK-UHFFFAOYSA-N 1 0 262.401 0.747 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(C)ccc1O ZINC000865707148 617012351 /nfs/dbraw/zinc/01/23/51/617012351.db2.gz NTBKOAPOUNHYNC-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO COC[C@@]1(CNCc2cc3c(cc2O)OCO3)CCC[NH2+]1 ZINC000841066764 617045168 /nfs/dbraw/zinc/04/51/68/617045168.db2.gz GTZQCHGPSLDEFR-HNNXBMFYSA-N 1 0 294.351 0.979 20 10 CCCDRO C[C@](O)(CO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000090286589 624483944 /nfs/dbraw/zinc/48/39/44/624483944.db2.gz ZJGVJNDBUDIVIT-OAHLLOKOSA-N 1 0 280.368 0.356 20 10 CCCDRO C[N@@H+]1CC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000928554647 631982775 /nfs/dbraw/zinc/98/27/75/631982775.db2.gz JJWJGDRFVSGOMR-MZBZXASESA-N 1 0 262.309 0.931 20 10 CCCDRO Nc1ccc(CCNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905344956 634844017 /nfs/dbraw/zinc/84/40/17/634844017.db2.gz RNZBSNWCNKQTDH-UHFFFAOYSA-N 1 0 297.424 0.730 20 10 CCCDRO O=C(C[NH2+]C1CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000154629463 638000878 /nfs/dbraw/zinc/00/08/78/638000878.db2.gz SBPBIJSBBQTHJP-UHFFFAOYSA-N 1 0 289.379 0.891 20 10 CCCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000841937213 642856732 /nfs/dbraw/zinc/85/67/32/642856732.db2.gz PEXYGEWXHZUGQT-ZDUSSCGKSA-N 1 0 262.357 0.863 20 10 CCCDRO C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1O ZINC000870988385 646073702 /nfs/dbraw/zinc/07/37/02/646073702.db2.gz OCFSGVKGTLCZIM-QWRGUYRKSA-N 1 0 264.325 0.948 20 10 CCCDRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000927021443 648538691 /nfs/dbraw/zinc/53/86/91/648538691.db2.gz BREDTXKTGUNFNW-GHMZBOCLSA-N 1 0 285.365 0.375 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CCN(CCO)[C@H](C)C2)c1 ZINC000190240876 649438666 /nfs/dbraw/zinc/43/86/66/649438666.db2.gz OEYZNKYNINGOSP-GFCCVEGCSA-N 1 0 280.368 0.899 20 10 CCCDRO COc1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277454448 805596622 /nfs/dbraw/zinc/59/66/22/805596622.db2.gz RXIFVRVHJZMKRZ-LLVKDONJSA-N 1 0 262.309 0.708 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@H]1O ZINC001232260532 805914717 /nfs/dbraw/zinc/91/47/17/805914717.db2.gz RFUQOVIEOAQKNA-KOLCDFICSA-N 1 0 287.743 0.926 20 10 CCCDRO Oc1cc(O)c(CN2CC[C@@H](O)[C@@H](F)C2)cc1O ZINC001233483307 806059985 /nfs/dbraw/zinc/05/99/85/806059985.db2.gz VBXGDZFQPSBZOX-DTWKUNHWSA-N 1 0 257.261 0.708 20 10 CCCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]12 ZINC001233486566 806060926 /nfs/dbraw/zinc/06/09/26/806060926.db2.gz SJTRHVWWPNLYNT-WCBMZHEXSA-N 1 0 278.308 0.371 20 10 CCCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(O)c(O)cc1O ZINC001233486442 806061074 /nfs/dbraw/zinc/06/10/74/806061074.db2.gz NGSBYNZEKLNFRB-LLVKDONJSA-N 1 0 282.340 0.566 20 10 CCCDRO C[NH+]1CC2(CN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233487410 806065596 /nfs/dbraw/zinc/06/55/96/806065596.db2.gz CEIHFNNTFLANTM-UHFFFAOYSA-N 1 0 250.298 0.551 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC001236053626 806536167 /nfs/dbraw/zinc/53/61/67/806536167.db2.gz ZVEHXLLBAFJQJE-AWEZNQCLSA-N 1 0 277.368 0.699 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(O)ccc1O ZINC001236198669 806551821 /nfs/dbraw/zinc/55/18/21/806551821.db2.gz MQEWADKHQWGQEO-KOLCDFICSA-N 1 0 266.297 0.172 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H]1[NH3+] ZINC001236354702 806584988 /nfs/dbraw/zinc/58/49/88/806584988.db2.gz PKVFANQMNZWYBE-NEPJUHHUSA-N 1 0 264.325 0.633 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](O)CO ZINC001237618348 806702968 /nfs/dbraw/zinc/70/29/68/806702968.db2.gz IIPMJQKNCUDOES-SECBINFHSA-N 1 0 263.696 0.970 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1O ZINC001123771129 799470537 /nfs/dbraw/zinc/47/05/37/799470537.db2.gz ZNJJOIOUWGCRDA-WCQYABFASA-N 1 0 275.352 0.397 20 10 CCCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001140744319 799938587 /nfs/dbraw/zinc/93/85/87/799938587.db2.gz TYTZEYLMLXLOJJ-ZYHUDNBSSA-N 1 0 253.298 0.191 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001161134731 802098003 /nfs/dbraw/zinc/09/80/03/802098003.db2.gz LAPDUHODXMEPHU-GJZGRUSLSA-N 1 0 291.395 0.824 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001203589332 803035920 /nfs/dbraw/zinc/03/59/20/803035920.db2.gz GEYIBIUWEVIFTJ-HIFRSBDPSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(O)c(CN2CC[NH+](CCCO)CC2)c1 ZINC001203670371 803041701 /nfs/dbraw/zinc/04/17/01/803041701.db2.gz PNYCXOWHJKEXDH-UHFFFAOYSA-N 1 0 280.368 0.901 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204275808 803075246 /nfs/dbraw/zinc/07/52/46/803075246.db2.gz BSBXNRRJFZSKHX-MFKMUULPSA-N 1 0 253.298 0.273 20 10 CCCDRO O=C1NCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204277411 803076658 /nfs/dbraw/zinc/07/66/58/803076658.db2.gz DEWFZGWSMUHYDE-UHFFFAOYSA-N 1 0 277.324 0.745 20 10 CCCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000179582208 803750504 /nfs/dbraw/zinc/75/05/04/803750504.db2.gz WYJSWFAQRVZRPS-JTQLQIEISA-N 1 0 250.298 0.851 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[NH2+]C[C@H]2O)c(O)c1 ZINC001220825517 804674822 /nfs/dbraw/zinc/67/48/22/804674822.db2.gz KHPSGCCUAHOLRN-DGCLKSJQSA-N 1 0 264.325 0.206 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[NH2+]CCN2)c(O)c1 ZINC001220825631 804675871 /nfs/dbraw/zinc/67/58/71/804675871.db2.gz OVLPPHLEHQTGEA-LBPRGKRZSA-N 1 0 263.341 0.187 20 10 CCCDRO Cn1ccc2c1ncnc2-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241894814 806983164 /nfs/dbraw/zinc/98/31/64/806983164.db2.gz LJOPRQUDXNTWOT-UHFFFAOYSA-N 1 0 295.350 0.835 20 10 CCCDRO CN(C(=O)NCc1ccc(N)cc1)C1(C[NH3+])CCOCC1 ZINC001262603187 809371056 /nfs/dbraw/zinc/37/10/56/809371056.db2.gz AEDLBGOGZUAGNV-UHFFFAOYSA-N 1 0 292.383 0.918 20 10 CCCDRO CN(C)c1ccc([C@H](CNC(=O)CON)[NH+](C)C)cc1 ZINC001263260110 809498712 /nfs/dbraw/zinc/49/87/12/809498712.db2.gz QUWAKJSNYONTSM-ZDUSSCGKSA-N 1 0 280.372 0.362 20 10 CCCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(O)c2O)C1 ZINC001263895846 809602096 /nfs/dbraw/zinc/60/20/96/809602096.db2.gz HZBPRDUKALLIDE-OAHLLOKOSA-N 1 0 294.351 0.561 20 10 CCCDRO Oc1ccc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001141155875 811819462 /nfs/dbraw/zinc/81/94/62/811819462.db2.gz ACBFEBDNFGHBFV-LBPRGKRZSA-N 1 0 264.325 0.614 20 10 CCCDRO [NH3+]Cc1ncc(NCCc2cc(O)c(O)cc2O)cn1 ZINC001168005550 814048529 /nfs/dbraw/zinc/04/85/29/814048529.db2.gz JQKKQBLPNFDPLM-UHFFFAOYSA-N 1 0 276.296 0.707 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)C[C@H]1[NH3+] ZINC001236352365 817283035 /nfs/dbraw/zinc/28/30/35/817283035.db2.gz VRZIYEHJIVRLTI-NWDGAFQWSA-N 1 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QLTLYUFYHHMPPE-VIFPVBQESA-N 1 0 287.337 0.422 20 10 CCCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509290 840072573 /nfs/dbraw/zinc/07/25/73/840072573.db2.gz RXXYCJGLOPNXLH-JTQLQIEISA-N 1 0 266.297 0.643 20 10 CCCDRO C[C@@H]1CN(C(=O)CCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001161015649 840448744 /nfs/dbraw/zinc/44/87/44/840448744.db2.gz IFIXBLMOIVSGDD-SNVBAGLBSA-N 1 0 264.325 0.851 20 10 CCCDRO COC[C@@](C)(CO)[NH2+]Cc1cccc(OC)c1O ZINC000716870656 841690154 /nfs/dbraw/zinc/69/01/54/841690154.db2.gz INLADPRCUSVYFV-CYBMUJFWSA-N 1 0 255.314 0.888 20 10 CCCDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253704841 851027607 /nfs/dbraw/zinc/02/76/07/851027607.db2.gz VTLROPPIFAZGHN-GFCCVEGCSA-N 1 0 283.324 0.890 20 10 CCCDRO COc1cc(C)c(C[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1 ZINC001308665458 908426817 /nfs/dbraw/zinc/42/68/17/908426817.db2.gz LFAGQPKFINJSSA-OAHLLOKOSA-N 1 0 280.368 0.865 20 10 CCCDRO Nc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC001335568601 920280842 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C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc(O)cc1O ZINC001347696351 924513424 /nfs/dbraw/zinc/51/34/24/924513424.db2.gz WTZXAWGAENNIIT-MFKMUULPSA-N 1 0 291.351 0.102 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCC(=O)N(C)C)c1 ZINC000037751787 348201119 /nfs/dbraw/zinc/20/11/19/348201119.db2.gz QMZWBTYMOCPXFQ-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO COCC[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000271180709 353030437 /nfs/dbraw/zinc/03/04/37/353030437.db2.gz YZXSULASIRCNRE-UHFFFAOYSA-N 1 0 269.297 0.562 20 10 CCCDRO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272484896 353068080 /nfs/dbraw/zinc/06/80/80/353068080.db2.gz TWXRUAXHUVVQJA-SNVBAGLBSA-N 1 0 253.277 0.774 20 10 CCCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000272321435 353052938 /nfs/dbraw/zinc/05/29/38/353052938.db2.gz KJMDVOJLXZUOSV-NSHDSACASA-N 1 0 294.351 0.682 20 10 CCCDRO NC(=O)[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000295431713 353893824 /nfs/dbraw/zinc/89/38/24/353893824.db2.gz TUGXDRYQUXOHLE-LLVKDONJSA-N 1 0 288.706 0.871 20 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0.665 20 10 CCCDRO COCC[NH2+]CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237152484 333377951 /nfs/dbraw/zinc/37/79/51/333377951.db2.gz ADWXESMMMIFKQQ-UHFFFAOYSA-N 1 0 293.367 0.714 20 10 CCCDRO CC(=O)c1cc(F)cc(C[N@@H+](CCO)C[C@@H](C)O)c1O ZINC000289872785 518283110 /nfs/dbraw/zinc/28/31/10/518283110.db2.gz QVUXQSZCFMHGLT-SECBINFHSA-N 1 0 285.315 0.909 20 10 CCCDRO CCN(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278534964 520172146 /nfs/dbraw/zinc/17/21/46/520172146.db2.gz VXLMBRRCHATSNM-UHFFFAOYSA-N 1 0 297.311 0.877 20 10 CCCDRO CCOc1cccc(C[NH2+]CCOCCO)c1O ZINC000020198705 521364188 /nfs/dbraw/zinc/36/41/88/521364188.db2.gz STGPBQWTMHUEKZ-UHFFFAOYSA-N 1 0 255.314 0.889 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000093531381 525343900 /nfs/dbraw/zinc/34/39/00/525343900.db2.gz WBAKBFOWVGZHME-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO Cc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)c(O)c1O ZINC000272773155 526158416 /nfs/dbraw/zinc/15/84/16/526158416.db2.gz SSZLLWNKZYJBEG-UHFFFAOYSA-N 1 0 294.351 0.593 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1C ZINC000779433392 581185359 /nfs/dbraw/zinc/18/53/59/581185359.db2.gz YJPVLLIXUCXASB-GFCCVEGCSA-N 1 0 289.335 0.745 20 10 CCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000732289845 581817647 /nfs/dbraw/zinc/81/76/47/581817647.db2.gz XJMSGJAHGXZDHQ-SNVBAGLBSA-N 1 0 283.397 0.819 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843058775 617207670 /nfs/dbraw/zinc/20/76/70/617207670.db2.gz YCCJWNJJWWLTAU-BONVTDFDSA-N 1 0 296.367 0.957 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843058777 617207823 /nfs/dbraw/zinc/20/78/23/617207823.db2.gz YCCJWNJJWWLTAU-ZUZCIYMTSA-N 1 0 296.367 0.957 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H]2CNOC2)cc1OC ZINC000904425276 617207876 /nfs/dbraw/zinc/20/78/76/617207876.db2.gz FUSOXUWFDJHHCW-VIFPVBQESA-N 1 0 254.286 0.402 20 10 CCCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)CS(N)(=O)=O ZINC000877734738 614112127 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COc1ccc(O)c(C[NH2+]C[C@@H]2CNCCO2)c1 ZINC000841099633 617273269 /nfs/dbraw/zinc/27/32/69/617273269.db2.gz UJUGYOACGXKCRP-LBPRGKRZSA-N 1 0 252.314 0.479 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000846046682 617273539 /nfs/dbraw/zinc/27/35/39/617273539.db2.gz MTMWVISSYGZUEX-WAAGHKOSSA-N 1 0 250.298 0.754 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)c1O ZINC000841936377 617298602 /nfs/dbraw/zinc/29/86/02/617298602.db2.gz HNNONHQIRUFOOO-NSHDSACASA-N 1 0 279.340 0.952 20 10 CCCDRO COc1cccc(C[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000850357970 617300035 /nfs/dbraw/zinc/30/00/35/617300035.db2.gz DFXHBWBZEJTHKH-OAHLLOKOSA-N 1 0 297.351 0.658 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000866420740 617307636 /nfs/dbraw/zinc/30/76/36/617307636.db2.gz QTXXZGLVZXAQLS-IEBDPFPHSA-N 1 0 253.298 0.811 20 10 CCCDRO CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)C[NH3+])c1O ZINC000842475820 614249466 /nfs/dbraw/zinc/24/94/66/614249466.db2.gz VBFUTQCFRISXJJ-NSHDSACASA-N 1 0 270.304 0.485 20 10 CCCDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(O)c1O ZINC000848025693 615001214 /nfs/dbraw/zinc/00/12/14/615001214.db2.gz ZQPHOYFJUPOAOU-LLVKDONJSA-N 1 0 296.367 0.920 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)c1 ZINC000895708127 615512146 /nfs/dbraw/zinc/51/21/46/615512146.db2.gz POJKDSXYSUMNIN-HNNXBMFYSA-N 1 0 295.335 0.901 20 10 CCCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000848904548 615683079 /nfs/dbraw/zinc/68/30/79/615683079.db2.gz XDIYUOYIOPLTCY-QWHCGFSZSA-N 1 0 251.326 0.882 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([NH3+])C2)cc1 ZINC000844217826 616014295 /nfs/dbraw/zinc/01/42/95/616014295.db2.gz OEXVGPKURFIHPD-AWEZNQCLSA-N 1 0 290.411 0.792 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1F ZINC000841098152 616016001 /nfs/dbraw/zinc/01/60/01/616016001.db2.gz DRTUTIIIBRGEMX-LBPRGKRZSA-N 1 0 267.348 0.970 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CSCN2)cc1 ZINC000841846210 616018949 /nfs/dbraw/zinc/01/89/49/616018949.db2.gz KYSPTIWRMUKPIX-QWHCGFSZSA-N 1 0 294.424 0.531 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnnc2)cc1 ZINC000832267057 616019727 /nfs/dbraw/zinc/01/97/27/616019727.db2.gz MEDKXPWFCHDCPH-CQSZACIVSA-N 1 0 285.351 0.972 20 10 CCCDRO CN1CCCc2cc(CNC(=O)COCC[NH3+])ccc21 ZINC000827913941 616219853 /nfs/dbraw/zinc/21/98/53/616219853.db2.gz TVJFMAAIEAWEOZ-UHFFFAOYSA-N 1 0 277.368 0.661 20 10 CCCDRO CNC(=O)C1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894978762 616555604 /nfs/dbraw/zinc/55/56/04/616555604.db2.gz JEUJHSQESDEHDV-UHFFFAOYSA-N 1 0 264.325 0.887 20 10 CCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000828015736 616568522 /nfs/dbraw/zinc/56/85/22/616568522.db2.gz LFKIECSTPHIQJE-SNVBAGLBSA-N 1 0 266.297 0.289 20 10 CCCDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828667445 616692697 /nfs/dbraw/zinc/69/26/97/616692697.db2.gz PRJLJVOXXRFXHI-KWQFWETISA-N 1 0 296.323 0.468 20 10 CCCDRO COCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292275 616700855 /nfs/dbraw/zinc/70/08/55/616700855.db2.gz DTSSUVZBAZMKMS-GFCCVEGCSA-N 1 0 251.330 0.515 20 10 CCCDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000846046896 616991906 /nfs/dbraw/zinc/99/19/06/616991906.db2.gz DKSRCFATDXJIOW-NWDGAFQWSA-N 1 0 267.325 0.982 20 10 CCCDRO COc1cc(O)c(CN2CCC[C@]([NH3+])(CO)C2)cc1OC ZINC000904402533 634742933 /nfs/dbraw/zinc/74/29/33/634742933.db2.gz RBEDPMVBZZEINM-OAHLLOKOSA-N 1 0 296.367 0.695 20 10 CCCDRO [NH3+][C@@]1(CO)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000904403010 634742996 /nfs/dbraw/zinc/74/29/96/634742996.db2.gz YUSKHPUQUUETJL-AWEZNQCLSA-N 1 0 280.324 0.407 20 10 CCCDRO NC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000841028783 633210802 /nfs/dbraw/zinc/21/08/02/633210802.db2.gz RVZJZIXQJYJJKY-JTQLQIEISA-N 1 0 250.298 0.948 20 10 CCCDRO Cc1cccc(C[NH2+]CCCc2nnnn2C)c1O ZINC000898040164 633272138 /nfs/dbraw/zinc/27/21/38/633272138.db2.gz PYVOOTVGUFYUID-UHFFFAOYSA-N 1 0 261.329 0.947 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC000911783766 636377869 /nfs/dbraw/zinc/37/78/69/636377869.db2.gz YSGFMICXECKAAO-WFASDCNBSA-N 1 0 259.353 0.927 20 10 CCCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000839181546 640305117 /nfs/dbraw/zinc/30/51/17/640305117.db2.gz YRZPZQCNKLYPKV-VIFPVBQESA-N 1 0 282.731 0.788 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817945822 641281059 /nfs/dbraw/zinc/28/10/59/641281059.db2.gz MUKZHNVDKUFSFX-SNVBAGLBSA-N 1 0 281.331 0.614 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCC(CO)(CO)C2)c1O ZINC000827474576 642008879 /nfs/dbraw/zinc/00/88/79/642008879.db2.gz DYTPYRBKZDSMFF-UHFFFAOYSA-N 1 0 251.326 0.877 20 10 CCCDRO O=S(=O)(CC[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000840964469 642799472 /nfs/dbraw/zinc/79/94/72/642799472.db2.gz LXLQFBZSTGLEMC-UHFFFAOYSA-N 1 0 299.348 0.788 20 10 CCCDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC(=O)Nc2cnccc21 ZINC000876747029 646656046 /nfs/dbraw/zinc/65/60/46/646656046.db2.gz SJHUMSVZQZFSFS-UFFNRZRYSA-N 1 0 286.335 0.923 20 10 CCCDRO C[C@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1O ZINC000877257430 646771225 /nfs/dbraw/zinc/77/12/25/646771225.db2.gz PYFPYYBHJOHEER-NSHDSACASA-N 1 0 263.341 0.475 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000877343036 646798774 /nfs/dbraw/zinc/79/87/74/646798774.db2.gz IFBRAAXSCQCSFV-LLVKDONJSA-N 1 0 284.381 0.954 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccccc1O ZINC000879649216 647090233 /nfs/dbraw/zinc/09/02/33/647090233.db2.gz OBXJFSFZUWYXQQ-SECBINFHSA-N 1 0 263.297 0.595 20 10 CCCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c(O)c1 ZINC000927026900 648539664 /nfs/dbraw/zinc/53/96/64/648539664.db2.gz RUOXXLZZPRJOOG-QWRGUYRKSA-N 1 0 287.381 0.757 20 10 CCCDRO COc1cccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c1O ZINC001277451908 805592426 /nfs/dbraw/zinc/59/24/26/805592426.db2.gz MVULUAVEUSEVFG-SNVBAGLBSA-N 1 0 262.309 0.708 20 10 CCCDRO COc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(O)cc1O ZINC001231638480 805823996 /nfs/dbraw/zinc/82/39/96/805823996.db2.gz BYIHOAMMVHOYAL-QWRGUYRKSA-N 1 0 264.325 0.995 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)cc1O ZINC001231639579 805825596 /nfs/dbraw/zinc/82/55/96/805825596.db2.gz VEHULRFOYPFBCF-LLVKDONJSA-N 1 0 280.324 0.817 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001231849721 805861942 /nfs/dbraw/zinc/86/19/42/805861942.db2.gz XJDOGONFORBAID-JSGCOSHPSA-N 1 0 280.368 0.546 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001231847667 805862920 /nfs/dbraw/zinc/86/29/20/805862920.db2.gz BEXNWMBHMFYFJO-HIFRSBDPSA-N 1 0 294.395 0.936 20 10 CCCDRO CC[N@H+](Cc1cc(O)c(O)cc1O)C1CN(C)C1 ZINC001233486986 806060624 /nfs/dbraw/zinc/06/06/24/806060624.db2.gz KNDLMUDMSAZQFV-UHFFFAOYSA-N 1 0 252.314 0.939 20 10 CCCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487006 806060880 /nfs/dbraw/zinc/06/08/80/806060880.db2.gz LEDTYRHEDMIABO-SNVBAGLBSA-N 1 0 266.297 0.514 20 10 CCCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485017 806062097 /nfs/dbraw/zinc/06/20/97/806062097.db2.gz GAYLGXAHHRRMMN-LLVKDONJSA-N 1 0 280.324 0.904 20 10 CCCDRO Cc1cccc(O)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234993038 806340825 /nfs/dbraw/zinc/34/08/25/806340825.db2.gz UJQXUAMOYNOADJ-OAHLLOKOSA-N 1 0 261.369 0.838 20 10 CCCDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccc(N)cc1 ZINC001235329592 806408751 /nfs/dbraw/zinc/40/87/51/806408751.db2.gz IECNIBPVLVLPMI-AEGPPILISA-N 1 0 289.379 0.994 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(OC)ccc1O ZINC001236052583 806533923 /nfs/dbraw/zinc/53/39/23/806533923.db2.gz AJJGTFMWVQGUBF-LBPRGKRZSA-N 1 0 280.324 0.348 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1O ZINC001236055730 806539911 /nfs/dbraw/zinc/53/99/11/806539911.db2.gz ZPTHJTWFCYMMAO-NSHDSACASA-N 1 0 284.743 0.992 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccccc2O)C[C@H]1[NH3+] ZINC001236337956 806569026 /nfs/dbraw/zinc/56/90/26/806569026.db2.gz CGVXIKISNQRFMC-GHMZBOCLSA-N 1 0 250.298 0.324 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC001236748984 806607671 /nfs/dbraw/zinc/60/76/71/806607671.db2.gz DFGIBISGDVULEU-NWDGAFQWSA-N 1 0 297.351 0.585 20 10 CCCDRO CNC(=O)C[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236809139 806612496 /nfs/dbraw/zinc/61/24/96/806612496.db2.gz UBUJSYAWQFWUGJ-UHFFFAOYSA-N 1 0 252.314 0.887 20 10 CCCDRO CCOc1ccc(C[NH+]2CC(C(N)=O)C2)c(O)c1 ZINC001237044707 806633056 /nfs/dbraw/zinc/63/30/56/806633056.db2.gz SMAQSXLOUPLIDK-UHFFFAOYSA-N 1 0 250.298 0.708 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237049489 806634932 /nfs/dbraw/zinc/63/49/32/806634932.db2.gz GVNMQZULJNVPNI-OCCSQVGLSA-N 1 0 281.352 0.966 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)CO ZINC001237618349 806702837 /nfs/dbraw/zinc/70/28/37/806702837.db2.gz IIPMJQKNCUDOES-VIFPVBQESA-N 1 0 263.696 0.970 20 10 CCCDRO C[C@H](NC(=O)[C@H]([NH3+])CO)c1ccc(N2CCOCC2)cc1 ZINC001121988445 799114949 /nfs/dbraw/zinc/11/49/49/799114949.db2.gz LHHMONDGAFITRB-SMDDNHRTSA-N 1 0 293.367 0.020 20 10 CCCDRO O=C(C[NH+]1CCCC1)NCc1cccc(O)c1O ZINC001123888388 799495242 /nfs/dbraw/zinc/49/52/42/799495242.db2.gz IHVGRCPIWCMRSC-UHFFFAOYSA-N 1 0 250.298 0.810 20 10 CCCDRO C[NH+]1CCN(C2CN(Cc3cc(F)ccc3O)C2)CC1 ZINC001140060060 799878476 /nfs/dbraw/zinc/87/84/76/799878476.db2.gz JGBRLAZIESSYNG-UHFFFAOYSA-N 1 0 279.359 0.963 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001140743970 799938223 /nfs/dbraw/zinc/93/82/23/799938223.db2.gz GWPJSUWSWKLRHN-DZGCQCFKSA-N 1 0 281.352 0.971 20 10 CCCDRO Cc1c(O)ccc(CN2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001140749616 799938951 /nfs/dbraw/zinc/93/89/51/799938951.db2.gz GJYLQVRDNOZQPC-UHFFFAOYSA-N 1 0 291.395 0.838 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141162645 799986670 /nfs/dbraw/zinc/98/66/70/799986670.db2.gz YJIJVIWJOIZMSW-ZDUSSCGKSA-N 1 0 281.308 0.862 20 10 CCCDRO N[C@@H](CC[NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925189 802047773 /nfs/dbraw/zinc/04/77/73/802047773.db2.gz VXTOBYPBLATZDX-NSHDSACASA-N 1 0 279.340 0.049 20 10 CCCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203882564 803050692 /nfs/dbraw/zinc/05/06/92/803050692.db2.gz LWMUPLRJBVQZCD-QWRGUYRKSA-N 1 0 262.309 0.666 20 10 CCCDRO Oc1ccc(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001204278207 803076753 /nfs/dbraw/zinc/07/67/53/803076753.db2.gz YEHVFPFQEUEAPD-UHFFFAOYSA-N 1 0 287.323 0.605 20 10 CCCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205967141 803193506 /nfs/dbraw/zinc/19/35/06/803193506.db2.gz KHMLAFWDLKDSHN-ZYHUDNBSSA-N 1 0 286.759 0.948 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(O)c(O)cc2O)CC(F)(F)C1 ZINC001206139571 803210537 /nfs/dbraw/zinc/21/05/37/803210537.db2.gz KUFGZIGIHVXIEO-QMMMGPOBSA-N 1 0 274.267 0.972 20 10 CCCDRO Nc1ccc(CC(=O)NCc2noc3c2C[NH2+]CC3)cc1 ZINC001219811435 804427515 /nfs/dbraw/zinc/42/75/15/804427515.db2.gz RVWLSSRLLJZHQU-UHFFFAOYSA-N 1 0 286.335 0.761 20 10 CCCDRO O=C(NCCc1cc(O)c(O)cc1O)C1CC[NH2+]CC1 ZINC001220114898 804502858 /nfs/dbraw/zinc/50/28/58/804502858.db2.gz BAIAJPCAHMVYTO-UHFFFAOYSA-N 1 0 280.324 0.462 20 10 CCCDRO C[C@]1(C(=O)NCCc2cc(O)c(O)cc2O)CC[NH2+]C1 ZINC001220114877 804503270 /nfs/dbraw/zinc/50/32/70/804503270.db2.gz AMCPOWKDCGLGMT-AWEZNQCLSA-N 1 0 280.324 0.462 20 10 CCCDRO N[C@@H](C[NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212511 804537758 /nfs/dbraw/zinc/53/77/58/804537758.db2.gz MHEJGHRKJNUBPN-JTQLQIEISA-N 1 0 294.742 0.496 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])C(=O)Cc1ccc(N)cc1 ZINC001220585578 804632101 /nfs/dbraw/zinc/63/21/01/804632101.db2.gz PWTKDWQMLSPASB-UHFFFAOYSA-N 1 0 279.340 0.162 20 10 CCCDRO CCOC(=O)Cn1ccc2c1ncnc2C1=CC[NH2+]C1 ZINC001243111039 807030469 /nfs/dbraw/zinc/03/04/69/807030469.db2.gz WDCGZGZJQWOEFV-UHFFFAOYSA-N 1 0 272.308 0.981 20 10 CCCDRO CC[N@@H+]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464474 805235543 /nfs/dbraw/zinc/23/55/43/805235543.db2.gz HXIQGKGIFRGXTA-LURJTMIESA-N 1 0 271.269 0.688 20 10 CCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001249171836 807546550 /nfs/dbraw/zinc/54/65/50/807546550.db2.gz GMGFEESNCVJRLT-UHFFFAOYSA-N 1 0 292.335 0.430 20 10 CCCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC[NH+]1CCC1 ZINC001254338202 808217770 /nfs/dbraw/zinc/21/77/70/808217770.db2.gz HQTWKYKADOFJBG-HYXAFXHYSA-N 1 0 262.309 0.933 20 10 CCCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001261425289 808975940 /nfs/dbraw/zinc/97/59/40/808975940.db2.gz UTGRMVQNRUSSLF-LLVKDONJSA-N 1 0 291.351 0.171 20 10 CCCDRO Nc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1 ZINC001120371056 816038318 /nfs/dbraw/zinc/03/83/18/816038318.db2.gz OBMJXEPLJFTNOV-UHFFFAOYSA-N 1 0 291.395 0.979 20 10 CCCDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)cc1O ZINC001236298598 817251953 /nfs/dbraw/zinc/25/19/53/817251953.db2.gz WQRSOPPZKQLFGA-ZJUUUORDSA-N 1 0 250.298 0.510 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(C)c2O)C[C@H]1[NH3+] ZINC001236351258 817281238 /nfs/dbraw/zinc/28/12/38/817281238.db2.gz KKRVDDIEMYUDHW-VXGBXAGGSA-N 1 0 264.325 0.633 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237484989 817507464 /nfs/dbraw/zinc/50/74/64/817507464.db2.gz KTLAXBOLBDYEED-SMDDNHRTSA-N 1 0 251.326 0.876 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001203621545 844441728 /nfs/dbraw/zinc/44/17/28/844441728.db2.gz WZOJPKCVEKDGOP-LSDHHAIUSA-N 1 0 281.352 0.966 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144514513 840073840 /nfs/dbraw/zinc/07/38/40/840073840.db2.gz IPBHAABSTSUBOK-WOFXILAISA-N 1 0 279.292 0.654 20 10 CCCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001148588126 840852319 /nfs/dbraw/zinc/85/23/19/840852319.db2.gz OXUDYFUETULUIP-ONGXEEELSA-N 1 0 292.335 0.970 20 10 CCCDRO N=c1cc(C[NH3+])ncn1C(=O)CCc1ccc(O)c(O)c1 ZINC001182155818 843738375 /nfs/dbraw/zinc/73/83/75/843738375.db2.gz REYHPZUQPHPZDX-UHFFFAOYSA-N 1 0 288.307 0.505 20 10 CCCDRO CC(C)[C@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)[NH+](C)C ZINC001183364896 844007701 /nfs/dbraw/zinc/00/77/01/844007701.db2.gz CYXAYOZKSVDRIM-CQSZACIVSA-N 1 0 294.351 0.983 20 10 CCCDRO CCOC[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252048597 847713180 /nfs/dbraw/zinc/71/31/80/847713180.db2.gz WHDKQFIVFWUMPR-SNVBAGLBSA-N 1 0 269.297 0.268 20 10 CCCDRO COC(=O)[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001252437726 847960288 /nfs/dbraw/zinc/96/02/88/847960288.db2.gz XFISSCZMMMLPJO-AWEZNQCLSA-N 1 0 278.352 0.910 20 10 CCCDRO CN(C)C[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717350212 848236515 /nfs/dbraw/zinc/23/65/15/848236515.db2.gz AWHUKAHZXGJVKE-NEPJUHHUSA-N 1 0 250.342 0.892 20 10 CCCDRO CN(C)c1ccc(CN2[C@H]3COC[C@@H]2C[N@H+](C)C3)c(O)c1 ZINC001275584724 848769429 /nfs/dbraw/zinc/76/94/29/848769429.db2.gz HLKBJXKGLNJJEU-GASCZTMLSA-N 1 0 291.395 0.973 20 10 CCCDRO C[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000719336389 849308461 /nfs/dbraw/zinc/30/84/61/849308461.db2.gz IDIMAKNUHYKECJ-WPRPVWTQSA-N 1 0 250.298 0.920 20 10 CCCDRO CON(C)C(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000397535426 854429450 /nfs/dbraw/zinc/42/94/50/854429450.db2.gz GULAZLMMUZUYHI-UHFFFAOYSA-N 1 0 268.269 0.230 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)CCNS(C)(=O)=O)c1 ZINC001116483212 855773348 /nfs/dbraw/zinc/77/33/48/855773348.db2.gz OFORBXFUDIWVKR-UHFFFAOYSA-N 1 0 288.369 0.382 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCOCCCO ZINC001323698571 912485646 /nfs/dbraw/zinc/48/56/46/912485646.db2.gz CVRWISVFIDLXMX-UHFFFAOYSA-N 1 0 255.314 0.889 20 10 CCCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001326276914 913865405 /nfs/dbraw/zinc/86/54/05/913865405.db2.gz IZSQSSYGGIVLKU-QWRGUYRKSA-N 1 0 293.367 0.593 20 10 CCCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205240641 897726578 /nfs/dbraw/zinc/72/65/78/897726578.db2.gz MMTMHBZFXOKNOK-HNNXBMFYSA-N 1 0 294.351 0.766 20 10 CCCDRO NC(=O)COC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001320159881 910488239 /nfs/dbraw/zinc/48/82/39/910488239.db2.gz RRXNTGVVAYPESH-UHFFFAOYSA-N 1 0 282.315 0.998 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)c(O)c1 ZINC001329647241 916096823 /nfs/dbraw/zinc/09/68/23/916096823.db2.gz OBIYBNUZYWIVAG-XHVZSJERSA-N 1 0 262.309 0.625 20 10 CCCDRO CN(C(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1ccc(N)cc1 ZINC001331726230 917552911 /nfs/dbraw/zinc/55/29/11/917552911.db2.gz RANIBKFUSKBZCB-HXUWFJFHSA-N 1 0 295.408 0.732 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H](O)C[NH3+])C2)cc1 ZINC001341350373 922438528 /nfs/dbraw/zinc/43/85/28/922438528.db2.gz MIDGGJGBQHBOMP-YPMHNXCESA-N 1 0 293.367 0.100 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](O)C[NH3+] ZINC001343214311 923238493 /nfs/dbraw/zinc/23/84/93/923238493.db2.gz SUFGQUAVCHKTPI-GFCCVEGCSA-N 1 0 266.341 0.841 20 10 CCCDRO Nc1ccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC001343568179 923375853 /nfs/dbraw/zinc/37/58/53/923375853.db2.gz XHXNQLCMSCFJFE-AWEZNQCLSA-N 1 0 263.341 0.641 20 10 CCCDRO C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC001348777578 924801480 /nfs/dbraw/zinc/80/14/80/924801480.db2.gz VKEILDORCGALIB-JQWIXIFHSA-N 1 0 291.351 0.438 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092067637 349481434 /nfs/dbraw/zinc/48/14/34/349481434.db2.gz AKEBKEWNGLCEJW-AWEZNQCLSA-N 1 0 297.424 0.876 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000271377805 353033202 /nfs/dbraw/zinc/03/32/02/353033202.db2.gz REACTSOQCATGHX-SNVBAGLBSA-N 1 0 265.313 0.643 20 10 CCCDRO CN(C)C(=O)CCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000271348946 353033785 /nfs/dbraw/zinc/03/37/85/353033785.db2.gz KWGUFOMJTHWSNB-UHFFFAOYSA-N 1 0 291.395 0.988 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@]2(CO)CCOC2)cc1OC ZINC000273475780 353112768 /nfs/dbraw/zinc/11/27/68/353112768.db2.gz KDYJPWIHVFCSLM-AWEZNQCLSA-N 1 0 283.324 0.650 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)N(C)C)c1 ZINC000298091856 389012651 /nfs/dbraw/zinc/01/26/51/389012651.db2.gz MSNFFGBNTKRETK-UHFFFAOYSA-N 1 0 287.385 0.186 20 10 CCCDRO COC(=O)CCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109773078 389100019 /nfs/dbraw/zinc/10/00/19/389100019.db2.gz BFJGWXMIKSMMAQ-UHFFFAOYSA-N 1 0 280.324 0.503 20 10 CCCDRO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000182462738 389708743 /nfs/dbraw/zinc/70/87/43/389708743.db2.gz ZSEHPLODWRTKBO-LBPRGKRZSA-N 1 0 264.325 0.647 20 10 CCCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000179305217 389652632 /nfs/dbraw/zinc/65/26/32/389652632.db2.gz MLLMENQHKSFHOP-OAHLLOKOSA-N 1 0 289.379 0.844 20 10 CCCDRO CC(=O)NC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180164554 389666294 /nfs/dbraw/zinc/66/62/94/389666294.db2.gz AWPMSQRAXRVBLD-CYBMUJFWSA-N 1 0 282.315 0.868 20 10 CCCDRO Nc1ccc(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000375954176 389726635 /nfs/dbraw/zinc/72/66/35/389726635.db2.gz NPMJOOAWNGYOJB-HNNXBMFYSA-N 1 0 288.395 0.317 20 10 CCCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3ccccc3O)CCN2C1=O ZINC000368587999 267189109 /nfs/dbraw/zinc/18/91/09/267189109.db2.gz CAXFDAAKDPHLBU-GFCCVEGCSA-N 1 0 289.335 0.861 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000377224280 268057705 /nfs/dbraw/zinc/05/77/05/268057705.db2.gz NIWGJRFICDHBBZ-JSGCOSHPSA-N 1 0 292.335 0.490 20 10 CCCDRO COC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000069053781 274045085 /nfs/dbraw/zinc/04/50/85/274045085.db2.gz WTTAZOURSITEBM-AWEZNQCLSA-N 1 0 280.368 0.825 20 10 CCCDRO CN(C)c1ccc([C@@H](CNS(C)(=O)=O)[NH+](C)C)cc1 ZINC000005098819 289411407 /nfs/dbraw/zinc/41/14/07/289411407.db2.gz JMPWECBBCQJAMC-CYBMUJFWSA-N 1 0 285.413 0.905 20 10 CCCDRO C[C@@H](C[NH3+])NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000276936937 328220327 /nfs/dbraw/zinc/22/03/27/328220327.db2.gz BHRPDLHFARWHMN-LVDDQXARSA-N 1 0 289.379 1.000 20 10 CCCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093899579 327146135 /nfs/dbraw/zinc/14/61/35/327146135.db2.gz ZVPQMFOAHWEKNR-VIFPVBQESA-N 1 0 280.324 0.935 20 10 CCCDRO COc1c(O)c(C[NH2+]CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278496212 521874127 /nfs/dbraw/zinc/87/41/27/521874127.db2.gz MQEKRZUKJYTGFT-UHFFFAOYSA-N 1 0 283.284 0.487 20 10 CCCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000289676315 524010158 /nfs/dbraw/zinc/01/01/58/524010158.db2.gz CEWOXMAQTBKPGL-ZANVPECISA-N 1 0 267.281 0.624 20 10 CCCDRO Cc1ccc[nH+]c1NNC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000790104334 581176924 /nfs/dbraw/zinc/17/69/24/581176924.db2.gz SBHLWNHBVNKJEF-UHFFFAOYSA-N 1 0 289.295 0.241 20 10 CCCDRO COc1ccc(CNC(=O)[C@H](C)[NH+](C)C)c(O)c1 ZINC000794381639 581366579 /nfs/dbraw/zinc/36/65/79/581366579.db2.gz QNNIOECPUFDPKY-VIFPVBQESA-N 1 0 252.314 0.967 20 10 CCCDRO CCOc1ccc(C[NH2+]CCc2nnnn2C)c(O)c1 ZINC000771877148 581831991 /nfs/dbraw/zinc/83/19/91/581831991.db2.gz NYQLPDOYSPGKNJ-UHFFFAOYSA-N 1 0 277.328 0.647 20 10 CCCDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000748261743 581967283 /nfs/dbraw/zinc/96/72/83/581967283.db2.gz JXHJXGIIAALEMP-MNOVXSKESA-N 1 0 290.319 0.974 20 10 CCCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(N)=O ZINC000774485753 581976103 /nfs/dbraw/zinc/97/61/03/581976103.db2.gz UWAYVLAQCZAFMW-VHSXEESVSA-N 1 0 278.356 0.987 20 10 CCCDRO COc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1OC ZINC000775735373 582035657 /nfs/dbraw/zinc/03/56/57/582035657.db2.gz OUYGLMOFVUTPSN-PHIMTYICSA-N 1 0 283.324 0.337 20 10 CCCDRO COc1cc(O)c(C[NH2+]CCc2nnnn2C)cc1OC ZINC000776256152 582065465 /nfs/dbraw/zinc/06/54/65/582065465.db2.gz LQTOZCPHEAIBQN-UHFFFAOYSA-N 1 0 293.327 0.265 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCOCCO)c1O ZINC000894146637 617175430 /nfs/dbraw/zinc/17/54/30/617175430.db2.gz UOVCYVOSQAPVHV-UHFFFAOYSA-N 1 0 255.314 0.808 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1OC ZINC000862531842 617207822 /nfs/dbraw/zinc/20/78/22/617207822.db2.gz KZVRAIJBEFEVAG-ZYHUDNBSSA-N 1 0 283.324 0.649 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1OC ZINC000891440692 617250862 /nfs/dbraw/zinc/25/08/62/617250862.db2.gz NYSHCSXAFYIYPG-SNVBAGLBSA-N 1 0 280.324 0.717 20 10 CCCDRO COc1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c(O)c1 ZINC000851677838 617254601 /nfs/dbraw/zinc/25/46/01/617254601.db2.gz WNFWNHYCVFGCFQ-UHFFFAOYSA-N 1 0 291.351 0.952 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)c(O)c1 ZINC000832178625 617256119 /nfs/dbraw/zinc/25/61/19/617256119.db2.gz UKIBARUHPUANEV-SECBINFHSA-N 1 0 274.267 1.000 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)c(O)c1 ZINC000876910989 617256698 /nfs/dbraw/zinc/25/66/98/617256698.db2.gz RSVANIXFZVCJJD-WFASDCNBSA-N 1 0 294.351 0.784 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000851640147 617267998 /nfs/dbraw/zinc/26/79/98/617267998.db2.gz RHODNJLUFIXFIL-GHMZBOCLSA-N 1 0 263.341 0.737 20 10 CCCDRO COc1ccc(O)c(CN2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904402523 617272295 /nfs/dbraw/zinc/27/22/95/617272295.db2.gz QWYYNIHXKKFQHZ-CQSZACIVSA-N 1 0 266.341 0.686 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1O ZINC000861710945 617298929 /nfs/dbraw/zinc/29/89/29/617298929.db2.gz OYHWQYPTQALZRL-SNVBAGLBSA-N 1 0 265.313 0.562 20 10 CCCDRO COc1cccc(C[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000922534635 617300092 /nfs/dbraw/zinc/30/00/92/617300092.db2.gz BCPKVRVDKGIOHG-HNNXBMFYSA-N 1 0 296.367 0.184 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1O ZINC000846170690 617309166 /nfs/dbraw/zinc/30/91/66/617309166.db2.gz YSIQLXXSDJOJHN-WDEREUQCSA-N 1 0 292.339 0.704 20 10 CCCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N)cc1 ZINC000843293659 614223968 /nfs/dbraw/zinc/22/39/68/614223968.db2.gz TYOVBPGTZJVUHV-LBPRGKRZSA-N 1 0 264.329 0.307 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](O)(C(=O)OC)C2)c1 ZINC000895708129 615512242 /nfs/dbraw/zinc/51/22/42/615512242.db2.gz POJKDSXYSUMNIN-OAHLLOKOSA-N 1 0 295.335 0.901 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@H]2CNCCO2)c1O ZINC000841099674 615516760 /nfs/dbraw/zinc/51/67/60/615516760.db2.gz VOBQXZPBQAFRHM-GFCCVEGCSA-N 1 0 266.341 0.869 20 10 CCCDRO CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(N)=O)C2)cc1 ZINC000835028098 616011534 /nfs/dbraw/zinc/01/15/34/616011534.db2.gz PFJNSWDHAISEJV-NHZBNJEXSA-N 1 0 289.379 0.952 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000844220013 616014282 /nfs/dbraw/zinc/01/42/82/616014282.db2.gz QSUOWBAVXNZDRL-OAHLLOKOSA-N 1 0 290.411 0.663 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1F ZINC000827901610 616015145 /nfs/dbraw/zinc/01/51/45/616015145.db2.gz SBRCCFCEIGPOLJ-KOLCDFICSA-N 1 0 251.305 0.855 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(C)(=O)=O)cc1 ZINC000842786443 616019308 /nfs/dbraw/zinc/01/93/08/616019308.db2.gz QRPSOLXJDIYSLB-NSHDSACASA-N 1 0 257.359 0.302 20 10 CCCDRO CN1CCN(C(=O)NCCc2ccc(N)cc2)[C@H](C[NH3+])C1 ZINC000841956184 616225631 /nfs/dbraw/zinc/22/56/31/616225631.db2.gz XTEUFBFNSHAHSY-CQSZACIVSA-N 1 0 291.399 0.096 20 10 CCCDRO CN1CC[N@H+](C)CC(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000913726895 616233773 /nfs/dbraw/zinc/23/37/73/616233773.db2.gz ZEKAPROZTCVDHB-UHFFFAOYSA-N 1 0 289.379 0.728 20 10 CCCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922536257 616249311 /nfs/dbraw/zinc/24/93/11/616249311.db2.gz STQUOEMEIIDCMR-INIZCTEOSA-N 1 0 292.379 0.404 20 10 CCCDRO CN1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042880435 616280475 /nfs/dbraw/zinc/28/04/75/616280475.db2.gz CTYZZDCVHRFLCC-SNVBAGLBSA-N 1 0 250.298 0.915 20 10 CCCDRO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccccc1O ZINC000111235169 616583574 /nfs/dbraw/zinc/58/35/74/616583574.db2.gz YXQMHKCCVVAHTN-UHFFFAOYSA-N 1 0 294.351 0.846 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000884232722 616674118 /nfs/dbraw/zinc/67/41/18/616674118.db2.gz YUGCVEWFLXRZHX-LBPRGKRZSA-N 1 0 293.367 0.842 20 10 CCCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c(O)cccc2OC)C1 ZINC000843433617 616724281 /nfs/dbraw/zinc/72/42/81/616724281.db2.gz AWZIAPYGWWJDQJ-QWRGUYRKSA-N 1 0 295.335 0.757 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877491766 616868175 /nfs/dbraw/zinc/86/81/75/616868175.db2.gz WVLKHYYSEOYLNY-CQSZACIVSA-N 1 0 294.395 0.745 20 10 CCCDRO C[NH2+]CCOCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000892284052 616967373 /nfs/dbraw/zinc/96/73/73/616967373.db2.gz VBZPVTKPMKXXJO-NSHDSACASA-N 1 0 281.356 0.988 20 10 CCCDRO COC[C@@]1(C(=O)N[C@@H](C)c2ccccc2O)C[NH2+]CCO1 ZINC000877256783 617034501 /nfs/dbraw/zinc/03/45/01/617034501.db2.gz DYKAGRPTJPDJIA-XHDPSFHLSA-N 1 0 294.351 0.574 20 10 CCCDRO C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1O ZINC000892288516 622781282 /nfs/dbraw/zinc/78/12/82/622781282.db2.gz CHOBPPCQOJLNOB-GHMZBOCLSA-N 1 0 279.340 0.741 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)Cc1ccc(N)cc1 ZINC000234262394 624814712 /nfs/dbraw/zinc/81/47/12/624814712.db2.gz FMQFEASGHYLMCE-UHFFFAOYSA-N 1 0 265.357 0.506 20 10 CCCDRO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(F)ccc1O ZINC000903277852 634549609 /nfs/dbraw/zinc/54/96/09/634549609.db2.gz CVWHFTFDWXTJER-ABAIWWIYSA-N 1 0 298.358 0.875 20 10 CCCDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccccc1O)CC2 ZINC000897042645 632381377 /nfs/dbraw/zinc/38/13/77/632381377.db2.gz RXCAXZNMUVFXSP-ZDUSSCGKSA-N 1 0 290.363 0.855 20 10 CCCDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000897058765 632384341 /nfs/dbraw/zinc/38/43/41/632384341.db2.gz RYSVEGPGXGWZLE-SNVBAGLBSA-N 1 0 270.354 0.503 20 10 CCCDRO NC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000841028784 633210746 /nfs/dbraw/zinc/21/07/46/633210746.db2.gz RVZJZIXQJYJJKY-SNVBAGLBSA-N 1 0 250.298 0.948 20 10 CCCDRO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c(O)c1O ZINC000908201669 635312411 /nfs/dbraw/zinc/31/24/11/635312411.db2.gz GIBQMXNHOHQTBH-LLVKDONJSA-N 1 0 294.351 0.593 20 10 CCCDRO CCN(CCO)CC[NH2+]Cc1cccc(OC)c1O ZINC000184541622 638692427 /nfs/dbraw/zinc/69/24/27/638692427.db2.gz MZVQLAGWVBYVCZ-UHFFFAOYSA-N 1 0 268.357 0.805 20 10 CCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922181052 639549352 /nfs/dbraw/zinc/54/93/52/639549352.db2.gz LJIYTMMNKNFIEV-ZWNOBZJWSA-N 1 0 251.326 0.843 20 10 CCCDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccccc1O ZINC000828016247 642059301 /nfs/dbraw/zinc/05/93/01/642059301.db2.gz WKUIIIFYFJEILR-LBPRGKRZSA-N 1 0 264.325 0.777 20 10 CCCDRO C[C@@H](NC(=O)NCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000841739748 642834170 /nfs/dbraw/zinc/83/41/70/642834170.db2.gz BTGUCJADZQUILY-GFCCVEGCSA-N 1 0 292.383 0.842 20 10 CCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037357 642872307 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OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877461468 646817508 /nfs/dbraw/zinc/81/75/08/646817508.db2.gz ARXNDHRZQVVZKQ-HNNXBMFYSA-N 1 0 280.368 0.091 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCN(C)CCOCCO)c1 ZINC000883350914 647516737 /nfs/dbraw/zinc/51/67/37/647516737.db2.gz STXJIHZSLKRNBN-UHFFFAOYSA-N 1 0 282.384 0.731 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1COCCO1)OCO2 ZINC000042880305 649288763 /nfs/dbraw/zinc/28/87/63/649288763.db2.gz PFHIBWSHGUPQKR-SNVBAGLBSA-N 1 0 267.281 0.626 20 10 CCCDRO NC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000191486328 649479543 /nfs/dbraw/zinc/47/95/43/649479543.db2.gz RCLYFSSQLTXUBZ-UHFFFAOYSA-N 1 0 275.352 0.631 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CNC1=[NH+]CCCN1 ZINC000303257910 649813213 /nfs/dbraw/zinc/81/32/13/649813213.db2.gz JYDMXNXEBWTJKV-UHFFFAOYSA-N 1 0 274.368 0.962 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001231847668 805862618 /nfs/dbraw/zinc/86/26/18/805862618.db2.gz BEXNWMBHMFYFJO-UKRRQHHQSA-N 1 0 294.395 0.936 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001232834131 805986082 /nfs/dbraw/zinc/98/60/82/805986082.db2.gz HRLVWWSBTOJGDK-LBPRGKRZSA-N 1 0 263.341 0.908 20 10 CCCDRO COC(=O)N1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482697 806060134 /nfs/dbraw/zinc/06/01/34/806060134.db2.gz YPNLJQWIBGELOH-UHFFFAOYSA-N 1 0 282.296 0.687 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1OC ZINC001233482981 806060364 /nfs/dbraw/zinc/06/03/64/806060364.db2.gz JWICRJYJTPRXBT-BETUJISGSA-N 1 0 269.297 0.649 20 10 CCCDRO Oc1ccc(O)c(CN2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060689 806361961 /nfs/dbraw/zinc/36/19/61/806361961.db2.gz IMILCPBOPWSCRJ-AWEZNQCLSA-N 1 0 263.341 0.235 20 10 CCCDRO Cc1c(O)ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235061332 806364205 /nfs/dbraw/zinc/36/42/05/806364205.db2.gz KMHOGNBEKDLUKL-HNNXBMFYSA-N 1 0 277.368 0.544 20 10 CCCDRO Oc1cc(F)c(F)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064805 806367183 /nfs/dbraw/zinc/36/71/83/806367183.db2.gz UOWZWGHONRGWFD-CQSZACIVSA-N 1 0 283.322 0.808 20 10 CCCDRO [NH3+][C@]12CC[C@H]1CN(Cc1c(O)cc(O)cc1O)C2 ZINC001235990456 806522736 /nfs/dbraw/zinc/52/27/36/806522736.db2.gz NAAVSHRSPRFEBI-SDBXPKJASA-N 1 0 250.298 0.727 20 10 CCCDRO CN1CCOc2cc(CN3C[C@@H]4C[NH2+]C[C@H]43)ccc21 ZINC001236288761 806560931 /nfs/dbraw/zinc/56/09/31/806560931.db2.gz IZUXJQBXRCMQAA-GXTWGEPZSA-N 1 0 259.353 0.919 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)C[C@H]1[NH3+] ZINC001236343198 806572639 /nfs/dbraw/zinc/57/26/39/806572639.db2.gz OMTFQYYOJQKVHG-GHMZBOCLSA-N 1 0 280.324 0.333 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(O)ccc2O)C[C@H]1[NH3+] ZINC001236346628 806577811 /nfs/dbraw/zinc/57/78/11/806577811.db2.gz JGUMIVDWGWHAAC-GHMZBOCLSA-N 1 0 266.297 0.030 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(C)cc(OC)cc2O)C[C@@H]1[NH3+] ZINC001236352134 806582967 /nfs/dbraw/zinc/58/29/67/806582967.db2.gz MLABIQDWPNLMSX-OLZOCXBDSA-N 1 0 294.351 0.641 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)c(O)c1 ZINC001122065037 799134511 /nfs/dbraw/zinc/13/45/11/799134511.db2.gz JYJOUVJDZFOLSC-IINYFYTJSA-N 1 0 280.324 0.130 20 10 CCCDRO C[NH2+][C@H](C(=O)N(C)c1ccc(N)cc1)c1cnn(C)c1 ZINC001122173582 799161420 /nfs/dbraw/zinc/16/14/20/799161420.db2.gz KJNBZEHZPBEGHV-ZDUSSCGKSA-N 1 0 273.340 0.926 20 10 CCCDRO Cc1cc(F)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001238065703 806746506 /nfs/dbraw/zinc/74/65/06/806746506.db2.gz YZUXTCHAQGMZSS-ZYHUDNBSSA-N 1 0 255.289 0.625 20 10 CCCDRO Cc1cc(F)cc(CN2CCO[C@@H](C(N)=O)C2)c1O ZINC001238071478 806746908 /nfs/dbraw/zinc/74/69/08/806746908.db2.gz YJBGPVLTOQSGQJ-LLVKDONJSA-N 1 0 268.288 0.526 20 10 CCCDRO O=C1COC[C@@H]2CN(Cc3cccc(F)c3O)CCN12 ZINC001138129704 799703287 /nfs/dbraw/zinc/70/32/87/799703287.db2.gz RXDSKYAHOAGJDH-NSHDSACASA-N 1 0 280.299 0.574 20 10 CCCDRO Cc1cc(C[N@H+](C)C[C@@H](O)CO)ccc1N(C)C ZINC001139669920 799828788 /nfs/dbraw/zinc/82/87/88/799828788.db2.gz DNTXOBKDYURYJZ-CYBMUJFWSA-N 1 0 252.358 0.846 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001140743876 799937666 /nfs/dbraw/zinc/93/76/66/799937666.db2.gz CLVCFCZTNYERAH-WCQYABFASA-N 1 0 267.325 0.581 20 10 CCCDRO Cc1c(O)ccc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC001140741806 799937841 /nfs/dbraw/zinc/93/78/41/799937841.db2.gz CNUWWIMYZHICES-UHFFFAOYSA-N 1 0 294.351 0.697 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001140743972 799938298 /nfs/dbraw/zinc/93/82/98/799938298.db2.gz GWPJSUWSWKLRHN-UKRRQHHQSA-N 1 0 281.352 0.971 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(C(=O)N(C)C)C2)c(OC)c1 ZINC001141028350 799973576 /nfs/dbraw/zinc/97/35/76/799973576.db2.gz LOFZWJDZLDZOMA-UHFFFAOYSA-N 1 0 294.351 0.929 20 10 CCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141155911 799984267 /nfs/dbraw/zinc/98/42/67/799984267.db2.gz ANZUDAHSTIHKGR-NHYWBVRUSA-N 1 0 293.319 0.719 20 10 CCCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141157857 799984423 /nfs/dbraw/zinc/98/44/23/799984423.db2.gz NPEUTBIYNKWEOF-AWEZNQCLSA-N 1 0 262.309 0.810 20 10 CCCDRO [NH3+]Cc1cc(NCCc2cc(O)c(O)cc2O)ncn1 ZINC001157239650 801330615 /nfs/dbraw/zinc/33/06/15/801330615.db2.gz HSHGPTONYCLMRC-UHFFFAOYSA-N 1 0 276.296 0.707 20 10 CCCDRO O=C(c1c(F)ccc(O)c1O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001161854649 802233211 /nfs/dbraw/zinc/23/32/11/802233211.db2.gz ORDGXIRTIDCKNJ-QMMMGPOBSA-N 1 0 296.298 0.440 20 10 CCCDRO C[C@@]1(c2ccc(N3CC[C@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC001164286523 802707125 /nfs/dbraw/zinc/70/71/25/802707125.db2.gz RDXFZSMIEYMBBK-HZMBPMFUSA-N 1 0 274.324 0.279 20 10 CCCDRO C[C@]1(CO)C[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875161 803049805 /nfs/dbraw/zinc/04/98/05/803049805.db2.gz JGBRXKBNKBNRHG-ZIAGYGMSSA-N 1 0 267.325 0.663 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)C[C@H]1O ZINC001205363590 803137253 /nfs/dbraw/zinc/13/72/53/803137253.db2.gz NZBWSJOKCJXKOZ-MWLCHTKSSA-N 1 0 276.258 0.915 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC001219765923 804418746 /nfs/dbraw/zinc/41/87/46/804418746.db2.gz IBYXMJSZDMNYHQ-HIFRSBDPSA-N 1 0 288.395 0.221 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CC(C(=O)OC)C2)c(O)c1 ZINC001249178028 807546095 /nfs/dbraw/zinc/54/60/95/807546095.db2.gz NUHPIPSXXUIUEJ-UHFFFAOYSA-N 1 0 293.319 0.713 20 10 CCCDRO CCOC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252016265 807760897 /nfs/dbraw/zinc/76/08/97/807760897.db2.gz FIQNNVRBCZQDMH-GXFFZTMASA-N 1 0 271.313 0.118 20 10 CCCDRO COC(=O)[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001252435431 807851427 /nfs/dbraw/zinc/85/14/27/807851427.db2.gz GTBWOWQPQWKZHD-AWEZNQCLSA-N 1 0 294.351 0.147 20 10 CCCDRO CC(=O)N1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001254417865 808237810 /nfs/dbraw/zinc/23/78/10/808237810.db2.gz KXNNSLBHBUILEP-UHFFFAOYSA-N 1 0 292.335 0.881 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](O)C[NH3+])cc1 ZINC001263096272 809442074 /nfs/dbraw/zinc/44/20/74/809442074.db2.gz MFMOULYAHOWSGP-CQSZACIVSA-N 1 0 279.384 0.859 20 10 CCCDRO C[N@@H+]1CCC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001270067562 813610354 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ZINC000126224967 840237786 /nfs/dbraw/zinc/23/77/86/840237786.db2.gz KVIQWMWKDUPVAN-NSHDSACASA-N 1 0 262.309 0.922 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001161134821 840870573 /nfs/dbraw/zinc/87/05/73/840870573.db2.gz PDGLNIQFWFJWOA-GJZGRUSLSA-N 1 0 291.395 0.681 20 10 CCCDRO COc1cc(CN2CC[NH+](C)CC2)cc(O)c1O ZINC001204340326 843801088 /nfs/dbraw/zinc/80/10/88/843801088.db2.gz MDRIILHMWMZBMN-UHFFFAOYSA-N 1 0 252.314 0.854 20 10 CCCDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(O)c(O)c1Cl ZINC001193236740 846029958 /nfs/dbraw/zinc/02/99/58/846029958.db2.gz PKGJGQPFAIBGJR-LURJTMIESA-N 1 0 256.689 0.843 20 10 CCCDRO COC(=O)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001252441994 847964611 /nfs/dbraw/zinc/96/46/11/847964611.db2.gz OZSIWPWVQZQGNU-GWCFXTLKSA-N 1 0 266.341 0.937 20 10 CCCDRO Cn1nncc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000394989337 854272961 /nfs/dbraw/zinc/27/29/61/854272961.db2.gz LZUOMAQWHAIJKO-UHFFFAOYSA-N 1 0 262.269 0.539 20 10 CCCDRO COc1cc(C)c(C[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1 ZINC001308665457 908425220 /nfs/dbraw/zinc/42/52/20/908425220.db2.gz LFAGQPKFINJSSA-HNNXBMFYSA-N 1 0 280.368 0.865 20 10 CCCDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(O)c1O ZINC001328025142 914931282 /nfs/dbraw/zinc/93/12/82/914931282.db2.gz CRZZROZKZMEDMD-NSHDSACASA-N 1 0 294.351 0.674 20 10 CCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1[NH3+] ZINC001340096769 921953879 /nfs/dbraw/zinc/95/38/79/921953879.db2.gz CEFPSSOJVMZTJB-BXKDBHETSA-N 1 0 289.335 0.040 20 10 CCCDRO C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC001350214171 925147673 /nfs/dbraw/zinc/14/76/73/925147673.db2.gz LVMAGZMNUNXRKM-GOONRYMUSA-N 1 0 261.325 0.970 20 10 CCCDRO O=C(COC1CC[NH2+]CC1)NCc1c(O)cccc1F ZINC001358167091 926649131 /nfs/dbraw/zinc/64/91/31/926649131.db2.gz BXHXGSHCBPIZOX-UHFFFAOYSA-N 1 0 282.315 0.916 20 10 CCCDRO CN1CC[NH2+]C[C@H]1C(=O)NCc1c(O)cccc1F ZINC001358167297 926649173 /nfs/dbraw/zinc/64/91/73/926649173.db2.gz GCUHDQTWKVGYDN-NSHDSACASA-N 1 0 267.304 0.051 20 10 CCCDRO Cc1ccc(O)c(C[NH+]2CCN(CCO)CC2)c1 ZINC000269385073 352831244 /nfs/dbraw/zinc/83/12/44/352831244.db2.gz ZHVRZMNFCUIAHB-UHFFFAOYSA-N 1 0 250.342 0.811 20 10 CCCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000285551857 353560683 /nfs/dbraw/zinc/56/06/83/353560683.db2.gz MIQFQEJZJJEJOT-ZIAGYGMSSA-N 1 0 250.342 0.944 20 10 CCCDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000289361040 353687669 /nfs/dbraw/zinc/68/76/69/353687669.db2.gz AHKOAYCPEMPEAZ-GFCCVEGCSA-N 1 0 252.358 0.928 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CO)CC2)cc1 ZINC000364066369 357082674 /nfs/dbraw/zinc/08/26/74/357082674.db2.gz XGPURUQUQUHZRA-AWEZNQCLSA-N 1 0 280.368 0.607 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043799231 388870727 /nfs/dbraw/zinc/87/07/27/388870727.db2.gz CHZAZLQJBYQDJB-GFCCVEGCSA-N 1 0 250.298 0.339 20 10 CCCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000133608083 389236831 /nfs/dbraw/zinc/23/68/31/389236831.db2.gz JPIBSZDSDIEXJP-JTQLQIEISA-N 1 0 278.308 0.831 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(C)(=O)=O)c1 ZINC000020203310 171067561 /nfs/dbraw/zinc/06/75/61/171067561.db2.gz NCXRXKXUEOXVOU-VIFPVBQESA-N 1 0 288.369 0.601 20 10 CCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000274229273 328209886 /nfs/dbraw/zinc/20/98/86/328209886.db2.gz RRFRERWFEKLSFY-HZMBPMFUSA-N 1 0 294.351 0.476 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1C ZINC000276475834 328218564 /nfs/dbraw/zinc/21/85/64/328218564.db2.gz RFWUCCQGXMHCEH-LLVKDONJSA-N 1 0 277.324 0.723 20 10 CCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccccc1O ZINC000277048083 519732213 /nfs/dbraw/zinc/73/22/13/519732213.db2.gz PYSOPFIBUTUTRQ-UHFFFAOYSA-N 1 0 287.385 0.314 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000793644896 581306408 /nfs/dbraw/zinc/30/64/08/581306408.db2.gz SHGAJKBAFOYPTE-MSRIBSCDSA-N 1 0 291.303 0.972 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCNC(=O)CC1 ZINC000769325890 581684339 /nfs/dbraw/zinc/68/43/39/581684339.db2.gz CKKGBUMNZUZGJJ-UHFFFAOYSA-N 1 0 250.298 0.723 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCc2nnnn2C)cc1 ZINC000771872756 581832169 /nfs/dbraw/zinc/83/21/69/581832169.db2.gz JSLONVNOEDCXIP-UHFFFAOYSA-N 1 0 260.345 0.608 20 10 CCCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(N)=O ZINC000774485745 581975809 /nfs/dbraw/zinc/97/58/09/581975809.db2.gz UWAYVLAQCZAFMW-NXEZZACHSA-N 1 0 278.356 0.987 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1O ZINC000775130578 582012317 /nfs/dbraw/zinc/01/23/17/582012317.db2.gz MJDJYKGDTJXIOY-GFCCVEGCSA-N 1 0 277.368 0.817 20 10 CCCDRO COc1ccc(O)c(CNC(=O)Cc2cncn2C)c1 ZINC000776348710 582070317 /nfs/dbraw/zinc/07/03/17/582070317.db2.gz DDLBYHCYDGHBBA-UHFFFAOYSA-N 1 0 275.308 0.993 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000894902413 617175512 /nfs/dbraw/zinc/17/55/12/617175512.db2.gz KKCAGMFRUIVUPA-PHIMTYICSA-N 1 0 290.319 0.414 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1OC ZINC000862483200 617207675 /nfs/dbraw/zinc/20/76/75/617207675.db2.gz IKCFKPSMWMGVIQ-CZMCAQCFSA-N 1 0 280.324 0.763 20 10 CCCDRO COc1cc(O)c(C[NH2+]Cc2cnnn2C)cc1OC ZINC000809783448 617207699 /nfs/dbraw/zinc/20/76/99/617207699.db2.gz DASHCFTURNWJLG-UHFFFAOYSA-N 1 0 278.312 0.828 20 10 CCCDRO COc1cc(O)c(CN2CC[C@H]([NH3+])C2)cc1OC ZINC000843046888 617207744 /nfs/dbraw/zinc/20/77/44/617207744.db2.gz HRQDIVAHNAKKHN-JTQLQIEISA-N 1 0 252.314 0.942 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1OC ZINC000894937876 617251172 /nfs/dbraw/zinc/25/11/72/617251172.db2.gz UHOKGDLOTYBKOI-RYUDHWBXSA-N 1 0 297.351 0.585 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)CO)CC2)cc1 ZINC000812844900 617267653 /nfs/dbraw/zinc/26/76/53/617267653.db2.gz MTJXPCOSRXFLDV-MRXNPFEDSA-N 1 0 294.395 0.997 20 10 CCCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)[C@@H](C)O)CC2)cc1 ZINC000865739369 617267763 /nfs/dbraw/zinc/26/77/63/617267763.db2.gz VDCWPDJKISILNC-WBMJQRKESA-N 1 0 294.395 0.995 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[NH3+])C2)cc1 ZINC000851662408 617268246 /nfs/dbraw/zinc/26/82/46/617268246.db2.gz WQLLSQUZEFCOSZ-NSHDSACASA-N 1 0 278.356 0.532 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)C[NH2+]CCO2)c1 ZINC000876878681 617274386 /nfs/dbraw/zinc/27/43/86/617274386.db2.gz JCDASEZFWCODIK-ZUZCIYMTSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895331685 617297897 /nfs/dbraw/zinc/29/78/97/617297897.db2.gz QCGRQRJUIZZPGR-BXUZGUMPSA-N 1 0 267.325 0.718 20 10 CCCDRO CC1(C)[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CS1(=O)=O ZINC000895977863 614853943 /nfs/dbraw/zinc/85/39/43/614853943.db2.gz INGPAXPRACUVHL-LBPRGKRZSA-N 1 0 299.348 0.786 20 10 CCCDRO CCN(C)c1ccc(Cn2cc(C[C@@H]([NH3+])CO)nn2)cc1 ZINC000881313519 614921160 /nfs/dbraw/zinc/92/11/60/614921160.db2.gz MRCCMEVCGJKNKX-CYBMUJFWSA-N 1 0 289.383 0.645 20 10 CCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861735030 615046494 /nfs/dbraw/zinc/04/64/94/615046494.db2.gz LVMLSLZWZNUNMO-UHFFFAOYSA-N 1 0 292.383 0.176 20 10 CCCDRO CCOc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858339488 615516733 /nfs/dbraw/zinc/51/67/33/615516733.db2.gz ZPCQJDUAUDFOFZ-ZDUSSCGKSA-N 1 0 280.368 0.947 20 10 CCCDRO CCc1cccc(C[NH2+]CCc2nnnn2C)c1O ZINC000848899522 615683476 /nfs/dbraw/zinc/68/34/76/615683476.db2.gz HBLPLCYMGZJCQX-UHFFFAOYSA-N 1 0 261.329 0.810 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCC(=O)NC(N)=O)cc1F ZINC000818985481 616015644 /nfs/dbraw/zinc/01/56/44/616015644.db2.gz UZTZMRKXXPPYCY-UHFFFAOYSA-N 1 0 282.319 0.566 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@@]2(C(N)=O)CCOC2)cc1 ZINC000847053318 616016022 /nfs/dbraw/zinc/01/60/22/616016022.db2.gz KAFVPGLLFGOWBE-AWEZNQCLSA-N 1 0 263.341 0.487 20 10 CCCDRO CN(C)c1ccc([C@@H](CNC(=O)CO)[NH+](C)C)cc1 ZINC000891249354 616018930 /nfs/dbraw/zinc/01/89/30/616018930.db2.gz RMJHLSUBMBFXJN-CYBMUJFWSA-N 1 0 265.357 0.464 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCOC2)cc1 ZINC000832280164 616019105 /nfs/dbraw/zinc/01/91/05/616019105.db2.gz NNIRAYRNSCCSMS-OCCSQVGLSA-N 1 0 277.368 0.905 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C2CC2)cc1 ZINC000842785137 616019677 /nfs/dbraw/zinc/01/96/77/616019677.db2.gz PVZXBOUZYLVVAO-CYBMUJFWSA-N 1 0 283.397 0.834 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000895702968 616561365 /nfs/dbraw/zinc/56/13/65/616561365.db2.gz IFSHTRVPPIACRG-CQSZACIVSA-N 1 0 281.308 0.511 20 10 CCCDRO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653749 616561854 /nfs/dbraw/zinc/56/18/54/616561854.db2.gz VZHQVLITRWHFSV-JTQLQIEISA-N 1 0 280.324 0.722 20 10 CCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077266 616567828 /nfs/dbraw/zinc/56/78/28/616567828.db2.gz BALNHUYMQOQXGE-LLVKDONJSA-N 1 0 265.313 0.512 20 10 CCCDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000827209601 616576112 /nfs/dbraw/zinc/57/61/12/616576112.db2.gz AZNKYBIJSZBZSP-NSHDSACASA-N 1 0 280.324 0.631 20 10 CCCDRO CNC(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894209484 616584233 /nfs/dbraw/zinc/58/42/33/616584233.db2.gz SRSZUSSPZNFDET-UHFFFAOYSA-N 1 0 252.314 0.935 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000895811603 616597284 /nfs/dbraw/zinc/59/72/84/616597284.db2.gz IWTFYYGAJFVXQO-UHFFFAOYSA-N 1 0 292.335 0.390 20 10 CCCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877074160 616781878 /nfs/dbraw/zinc/78/18/78/616781878.db2.gz ALZHSXMYBILWPQ-JSGCOSHPSA-N 1 0 263.341 0.999 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925862579 616918333 /nfs/dbraw/zinc/91/83/33/616918333.db2.gz UYVFMYMJWKEAEU-WCBMZHEXSA-N 1 0 266.297 0.733 20 10 CCCDRO C[NH2+]CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843542 616939497 /nfs/dbraw/zinc/93/94/97/616939497.db2.gz ANZPDWSEOLPRKP-GFCCVEGCSA-N 1 0 277.368 1.000 20 10 CCCDRO COc1c(O)c(CN(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000843128477 617149246 /nfs/dbraw/zinc/14/92/46/617149246.db2.gz XVNZHVONQVTKNT-UHFFFAOYSA-N 1 0 267.285 0.713 20 10 CCCDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000930509831 625341711 /nfs/dbraw/zinc/34/17/11/625341711.db2.gz NJJQYVBSUPAXJY-AWEZNQCLSA-N 1 0 294.395 0.698 20 10 CCCDRO COc1ccc(C[N@H+](C[C@@H](O)CO)C(C)C)c(O)c1OC ZINC000894981545 631889305 /nfs/dbraw/zinc/88/93/05/631889305.db2.gz LYWVZJSUURHQNK-GFCCVEGCSA-N 1 0 299.367 0.973 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000897060809 632385715 /nfs/dbraw/zinc/38/57/15/632385715.db2.gz IAJNRPKZQKJZJE-LLVKDONJSA-N 1 0 284.381 0.811 20 10 CCCDRO COc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1O ZINC000901128342 634193305 /nfs/dbraw/zinc/19/33/05/634193305.db2.gz XLWZTYBGPUTTKK-XHDPSFHLSA-N 1 0 294.351 0.472 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000922535584 639718310 /nfs/dbraw/zinc/71/83/10/639718310.db2.gz IZAFHMKDSHSUOC-OAHLLOKOSA-N 1 0 296.367 0.184 20 10 CCCDRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922974811 639986954 /nfs/dbraw/zinc/98/69/54/639986954.db2.gz ZFKRCJBTXUMGDV-GFCCVEGCSA-N 1 0 291.307 0.678 20 10 CCCDRO OCCO[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000826942652 641969951 /nfs/dbraw/zinc/96/99/51/641969951.db2.gz RRQNFJWGKCKYMI-CQSZACIVSA-N 1 0 285.315 0.789 20 10 CCCDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000828505284 642100615 /nfs/dbraw/zinc/10/06/15/642100615.db2.gz MBFRKTUGSRAZMD-ZDUSSCGKSA-N 1 0 284.287 0.033 20 10 CCCDRO O=C(NCCN1CC[NH2+]CC1)NCc1ccccc1O ZINC000841920610 642853277 /nfs/dbraw/zinc/85/32/77/642853277.db2.gz LSGFNHOTKDQOAL-UHFFFAOYSA-N 1 0 278.356 0.097 20 10 CCCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955787 642860687 /nfs/dbraw/zinc/86/06/87/642860687.db2.gz NHFZBHLGYKRXDQ-ZJUUUORDSA-N 1 0 250.346 0.846 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000842153570 642877558 /nfs/dbraw/zinc/87/75/58/642877558.db2.gz NEMKHPHNSDVTLD-UHFFFAOYSA-N 1 0 292.383 0.094 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1F ZINC000853247843 644095404 /nfs/dbraw/zinc/09/54/04/644095404.db2.gz CNYDITIALFIJQU-NXEZZACHSA-N 1 0 268.288 0.992 20 10 CCCDRO O=C(c1cccc(O)c1O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861715889 644916296 /nfs/dbraw/zinc/91/62/96/644916296.db2.gz RAUCNGAOIPEVKQ-WDEREUQCSA-N 1 0 292.335 0.379 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000864052855 645155031 /nfs/dbraw/zinc/15/50/31/645155031.db2.gz QJWIQQCABMUALL-ISVAXAHUSA-N 1 0 274.311 0.862 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000877168450 646745410 /nfs/dbraw/zinc/74/54/10/646745410.db2.gz UTYIIGHZEPSOHD-LLVKDONJSA-N 1 0 275.308 0.437 20 10 CCCDRO C[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccccc1O ZINC000877255656 646770735 /nfs/dbraw/zinc/77/07/35/646770735.db2.gz GOZGTGPAOCBPIP-XHVZSJERSA-N 1 0 264.325 0.933 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000877364030 646803659 /nfs/dbraw/zinc/80/36/59/646803659.db2.gz UUABMGANEFZEBR-CQSZACIVSA-N 1 0 250.342 0.857 20 10 CCCDRO OCC1(CO)CC[NH+](Cc2ccccc2O)CC1 ZINC000877797151 646845726 /nfs/dbraw/zinc/84/57/26/646845726.db2.gz DLGUFIQYAFIBFM-UHFFFAOYSA-N 1 0 251.326 0.959 20 10 CCCDRO O=C1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N1 ZINC000079953031 649529690 /nfs/dbraw/zinc/52/96/90/649529690.db2.gz CIZMZKDNIHWNJR-AWEZNQCLSA-N 1 0 289.379 0.891 20 10 CCCDRO COc1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c(O)c1 ZINC001277454546 805598542 /nfs/dbraw/zinc/59/85/42/805598542.db2.gz VRDOPSFKYPWXDU-UHFFFAOYSA-N 1 0 262.309 0.898 20 10 CCCDRO COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)cc1O ZINC001231634301 805823631 /nfs/dbraw/zinc/82/36/31/805823631.db2.gz KXLSWXPUFOTZJN-JTQLQIEISA-N 1 0 269.297 0.300 20 10 CCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OC)c(O)cc3O)C[C@@H]21 ZINC001231637162 805825399 /nfs/dbraw/zinc/82/53/99/805825399.db2.gz GSNWPAVQYWUTGE-MSRIBSCDSA-N 1 0 293.319 0.957 20 10 CCCDRO Cc1cc(C)c(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC001231846228 805860624 /nfs/dbraw/zinc/86/06/24/805860624.db2.gz IMAPPGIYCKTECO-UHFFFAOYSA-N 1 0 277.368 0.612 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001232836238 805986552 /nfs/dbraw/zinc/98/65/52/805986552.db2.gz MELKKYYHXBQQOM-RISCZKNCSA-N 1 0 266.341 0.243 20 10 CCCDRO COC(=O)[C@@]1(F)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483435 806060033 /nfs/dbraw/zinc/06/00/33/806060033.db2.gz ZCKBITJRRKKQQJ-CYBMUJFWSA-N 1 0 285.271 0.890 20 10 CCCDRO CC[N@H+](CCC(N)=O)Cc1cc(O)c(O)cc1O ZINC001233484918 806061953 /nfs/dbraw/zinc/06/19/53/806061953.db2.gz CGBFIQRZSTWIDV-UHFFFAOYSA-N 1 0 254.286 0.501 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1O ZINC001236055077 806537315 /nfs/dbraw/zinc/53/73/15/806537315.db2.gz JDATZHLFSFCZLC-NSHDSACASA-N 1 0 266.297 0.045 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1[NH3+] ZINC001236343384 806573359 /nfs/dbraw/zinc/57/33/59/806573359.db2.gz PITYZNSUZXZWEY-NXEZZACHSA-N 1 0 266.297 0.030 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)cc1OC ZINC001236750313 806606727 /nfs/dbraw/zinc/60/67/27/806606727.db2.gz QXPGCJFMBYHLNM-HNNXBMFYSA-N 1 0 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Cc1cc(C)c(CNC(=O)[C@H]2[NH2+]CC[C@H]2O)c(O)c1 ZINC001220826117 804676087 /nfs/dbraw/zinc/67/60/87/804676087.db2.gz ZVBLDPRDLZXIRG-YPMHNXCESA-N 1 0 264.325 0.348 20 10 CCCDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc(OC)n1 ZINC001220892487 804693151 /nfs/dbraw/zinc/69/31/51/804693151.db2.gz GAPAVJVRCNQFMO-JTQLQIEISA-N 1 0 265.313 0.581 20 10 CCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CN1 ZINC001246277597 807205249 /nfs/dbraw/zinc/20/52/49/807205249.db2.gz JBYCRXUAAGGRJJ-MNOVXSKESA-N 1 0 280.324 0.481 20 10 CCCDRO CN1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001255414533 808356961 /nfs/dbraw/zinc/35/69/61/808356961.db2.gz YDMAILUQTFCVCZ-ZWNOBZJWSA-N 1 0 252.314 0.425 20 10 CCCDRO Nc1ccc(CC(=O)N2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001263223252 809485843 /nfs/dbraw/zinc/48/58/43/809485843.db2.gz CJLOYZTWMLNVLE-UHFFFAOYSA-N 1 0 289.379 0.792 20 10 CCCDRO COc1cc(CN2CC(C)([NH3+])C2)c(O)c(OC)c1 ZINC001204994443 814196473 /nfs/dbraw/zinc/19/64/73/814196473.db2.gz XMJAHWINFWIPOM-UHFFFAOYSA-N 1 0 252.314 0.942 20 10 CCCDRO COc1cc(C(=O)NC2CN(CC3CC3)C2)cc(OC)n1 ZINC001030612419 816147620 /nfs/dbraw/zinc/14/76/20/816147620.db2.gz OFWIERKDXFYLIK-UHFFFAOYSA-N 1 0 291.351 0.923 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000710756635 819834985 /nfs/dbraw/zinc/83/49/85/819834985.db2.gz ZPRSIPATYDRXQM-CQSZACIVSA-N 1 0 264.325 0.729 20 10 CCCDRO CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001169563957 836356570 /nfs/dbraw/zinc/35/65/70/836356570.db2.gz AJKQFKOBCPSPQW-DOMZBBRYSA-N 1 0 294.351 0.732 20 10 CCCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)NC)c1O ZINC000691497068 836738920 /nfs/dbraw/zinc/73/89/20/836738920.db2.gz BGCICFSDJDDVFJ-UHFFFAOYSA-N 1 0 272.370 0.593 20 10 CCCDRO OC[C@H]1C[C@@H](O)CN1c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001170286128 837294849 /nfs/dbraw/zinc/29/48/49/837294849.db2.gz OPWHEMDBHJEBOS-HZPDHXFCSA-N 1 0 291.395 0.024 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001203620985 844437663 /nfs/dbraw/zinc/43/76/63/844437663.db2.gz LXZWTRHQSDVESB-GJZGRUSLSA-N 1 0 281.352 0.966 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144515908 840074950 /nfs/dbraw/zinc/07/49/50/840074950.db2.gz IUZXPSALOVVIBZ-ZDUSSCGKSA-N 1 0 297.307 0.567 20 10 CCCDRO COC[C@@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144516100 840075158 /nfs/dbraw/zinc/07/51/58/840075158.db2.gz PKJZSIPSHJVIPY-SECBINFHSA-N 1 0 269.297 0.651 20 10 CCCDRO CCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001173347938 842047048 /nfs/dbraw/zinc/04/70/48/842047048.db2.gz JXTCOTNIIFJHMZ-SMDDNHRTSA-N 1 0 266.341 0.815 20 10 CCCDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2)cc(OC)n1 ZINC001192422583 845841994 /nfs/dbraw/zinc/84/19/94/845841994.db2.gz HWEVOZNDZURVJI-VIFPVBQESA-N 1 0 251.286 0.191 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000717328909 848233811 /nfs/dbraw/zinc/23/38/11/848233811.db2.gz IGOZGIGBOSXQHK-SWLSCSKDSA-N 1 0 280.368 0.355 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000717328905 848233993 /nfs/dbraw/zinc/23/39/93/848233993.db2.gz IGOZGIGBOSXQHK-DOMZBBRYSA-N 1 0 280.368 0.355 20 10 CCCDRO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717350216 848236243 /nfs/dbraw/zinc/23/62/43/848236243.db2.gz AWHUKAHZXGJVKE-NWDGAFQWSA-N 1 0 250.342 0.892 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000717354965 848237646 /nfs/dbraw/zinc/23/76/46/848237646.db2.gz RQZABAQSEWCMPN-HQJQHLMTSA-N 1 0 290.157 0.986 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000697288893 855616943 /nfs/dbraw/zinc/61/69/43/855616943.db2.gz CYVHZWRRRUAAEK-NWDGAFQWSA-N 1 0 285.365 0.602 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC001119445770 856687588 /nfs/dbraw/zinc/68/75/88/856687588.db2.gz PRCRPCHYMLSFOK-RYUDHWBXSA-N 1 0 267.325 0.637 20 10 CCCDRO CN1C[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)OCC1=O ZINC001272903063 898146702 /nfs/dbraw/zinc/14/67/02/898146702.db2.gz LEZSXLIMNCLDDH-HNNXBMFYSA-N 1 0 292.335 0.531 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC001334773959 919755430 /nfs/dbraw/zinc/75/54/30/919755430.db2.gz BHWHOLJICVOUFO-GFCCVEGCSA-N 1 0 269.370 0.522 20 10 CCCDRO NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C2=CCC[NH2+]CC2)C1 ZINC001340033127 921924518 /nfs/dbraw/zinc/92/45/18/921924518.db2.gz HJLACEJFQFEJTR-CQSZACIVSA-N 1 0 299.374 0.987 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccccc1O ZINC001340340647 922057649 /nfs/dbraw/zinc/05/76/49/922057649.db2.gz OLQQLUPOCZVXDY-SKDRFNHKSA-N 1 0 252.314 0.225 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CNCC[NH3+] ZINC001343444552 923318756 /nfs/dbraw/zinc/31/87/56/923318756.db2.gz JWODJHFHSOTROP-UHFFFAOYSA-N 1 0 278.356 0.026 20 10 CCCDRO Nc1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC001357792517 926598308 /nfs/dbraw/zinc/59/83/08/926598308.db2.gz ZZPIKJDVDNLJCG-ZDUSSCGKSA-N 1 0 278.356 0.135 20 10 CCCDRO C[N@H+](CCOCCO)Cc1ccc(N2CCOCC2)cc1 ZINC000172619941 350999885 /nfs/dbraw/zinc/99/98/85/350999885.db2.gz GCMYQIVHKNFVJP-UHFFFAOYSA-N 1 0 294.395 0.964 20 10 CCCDRO COCCN(CC[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000188422154 351594240 /nfs/dbraw/zinc/59/42/40/351594240.db2.gz NLMFOPOWDTUTAH-UHFFFAOYSA-N 1 0 282.340 0.748 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@H](CO)C2)c1 ZINC000271702710 353034713 /nfs/dbraw/zinc/03/47/13/353034713.db2.gz DIOKNIQPAMENMA-LBPRGKRZSA-N 1 0 253.298 0.594 20 10 CCCDRO COc1cccc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC000294774307 199176748 /nfs/dbraw/zinc/17/67/48/199176748.db2.gz KNBNQZDDGBJTLT-NSHDSACASA-N 1 0 253.298 0.594 20 10 CCCDRO O=C1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1 ZINC000093101636 389035083 /nfs/dbraw/zinc/03/50/83/389035083.db2.gz NBVKJCULEQKXDF-UHFFFAOYSA-N 1 0 289.379 0.845 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000359973044 389187407 /nfs/dbraw/zinc/18/74/07/389187407.db2.gz HXWBQISJETXQHG-NWDGAFQWSA-N 1 0 267.325 0.718 20 10 CCCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000135720169 389261862 /nfs/dbraw/zinc/26/18/62/389261862.db2.gz VUVASKLOYKBUAT-GFCCVEGCSA-N 1 0 277.368 0.877 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCO)cc1 ZINC000281941247 389637734 /nfs/dbraw/zinc/63/77/34/389637734.db2.gz TYXDPGFKUCHJRX-UHFFFAOYSA-N 1 0 279.384 0.683 20 10 CCCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000180333460 389669167 /nfs/dbraw/zinc/66/91/67/389669167.db2.gz AADYJBWVBGEPQE-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530182730 390875906 /nfs/dbraw/zinc/87/59/06/390875906.db2.gz YWVYYOQSQJCZCR-GFCCVEGCSA-N 1 0 266.341 0.869 20 10 CCCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000237217938 522027313 /nfs/dbraw/zinc/02/73/13/522027313.db2.gz RNUYUVJCFHORHG-CYBMUJFWSA-N 1 0 291.395 0.995 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CC2)cc1F ZINC000237081584 522184704 /nfs/dbraw/zinc/18/47/04/522184704.db2.gz OGMRIFMIOCRMOM-UHFFFAOYSA-N 1 0 251.305 0.999 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000229641460 522208731 /nfs/dbraw/zinc/20/87/31/522208731.db2.gz BOMBWKNSPGRRJE-CQSZACIVSA-N 1 0 250.342 0.994 20 10 CCCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000273693175 525344079 /nfs/dbraw/zinc/34/40/79/525344079.db2.gz BVMWYGIMGOQMRT-UHFFFAOYSA-N 1 0 289.335 0.875 20 10 CCCDRO C[NH+](C)CCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000779432127 581185517 /nfs/dbraw/zinc/18/55/17/581185517.db2.gz KXCBXUYQRKGQBF-UHFFFAOYSA-N 1 0 283.328 0.968 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000785984052 581425891 /nfs/dbraw/zinc/42/58/91/581425891.db2.gz CMUJPYHBMQSZAY-SECBINFHSA-N 1 0 286.353 0.264 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000754086427 581574769 /nfs/dbraw/zinc/57/47/69/581574769.db2.gz YNPIAMIHUUYPMU-VIFPVBQESA-N 1 0 273.354 0.924 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCOC1 ZINC000754843266 581612489 /nfs/dbraw/zinc/61/24/89/581612489.db2.gz PRKDYGHERVZXRV-CYBMUJFWSA-N 1 0 253.298 0.642 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN3CCNC(=O)C3)cc2)CC1 ZINC000775642934 582032578 /nfs/dbraw/zinc/03/25/78/582032578.db2.gz PQUVSZAIUDNBGR-UHFFFAOYSA-N 1 0 288.395 0.370 20 10 CCCDRO CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462435 582107211 /nfs/dbraw/zinc/10/72/11/582107211.db2.gz LJZHSALKHNZGTL-CYBMUJFWSA-N 1 0 294.351 0.776 20 10 CCCDRO COc1ccc(C[N@H+](C)CCNC(C)=O)c(O)c1OC ZINC000895109319 617247877 /nfs/dbraw/zinc/24/78/77/617247877.db2.gz ODZUIPLPUDGQSB-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)CCn2cnnn2)cc1 ZINC000878805978 617267109 /nfs/dbraw/zinc/26/71/09/617267109.db2.gz VPOKFUJMCAIJOG-UHFFFAOYSA-N 1 0 290.371 0.750 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000851714729 617267909 /nfs/dbraw/zinc/26/79/09/617267909.db2.gz UUBZOCHFDFZLRN-ZDUSSCGKSA-N 1 0 289.379 0.953 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)cc1F ZINC000929820210 617268016 /nfs/dbraw/zinc/26/80/16/617268016.db2.gz ASSCWEFCAKXCIW-FZMZJTMJSA-N 1 0 298.358 0.698 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[NH3+])C2)cc1 ZINC000851665441 617268164 /nfs/dbraw/zinc/26/81/64/617268164.db2.gz BDRMPQHYRXCSFA-NEPJUHHUSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000851640149 617268185 /nfs/dbraw/zinc/26/81/85/617268185.db2.gz RHODNJLUFIXFIL-MNOVXSKESA-N 1 0 263.341 0.737 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000842000146 617273863 /nfs/dbraw/zinc/27/38/63/617273863.db2.gz SGPDLPGPLAWAKU-XFOOOJQKSA-N 1 0 291.351 0.979 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C[NH3+])OC)c1 ZINC000828667527 617274111 /nfs/dbraw/zinc/27/41/11/617274111.db2.gz RWFIZSRBBUEAIY-MWLCHTKSSA-N 1 0 282.340 0.942 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000862427142 617272502 /nfs/dbraw/zinc/27/25/02/617272502.db2.gz UPWUGYXNZJMYJD-AWEZNQCLSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719632 617305287 /nfs/dbraw/zinc/30/52/87/617305287.db2.gz CMJGMTFBPGSJFJ-AOOOYVTPSA-N 1 0 290.319 0.447 20 10 CCCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000879694241 614249306 /nfs/dbraw/zinc/24/93/06/614249306.db2.gz YCDZLEZERSQYTL-TXEJJXNPSA-N 1 0 297.326 0.767 20 10 CCCDRO CC(=O)c1cc(F)cc(Cn2cc(CC[NH3+])nn2)c1O ZINC000880996066 614249453 /nfs/dbraw/zinc/24/94/53/614249453.db2.gz NJTGJJQLIKZINC-UHFFFAOYSA-N 1 0 278.287 0.875 20 10 CCCDRO CCN(CC[NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863551328 615047225 /nfs/dbraw/zinc/04/72/25/615047225.db2.gz KHAJRSUYIXNCSD-UHFFFAOYSA-N 1 0 292.427 0.992 20 10 CCCDRO CCNC(=O)CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000129198191 615047560 /nfs/dbraw/zinc/04/75/60/615047560.db2.gz JNVCXLRMBJMSKS-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO CCOc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000858298924 615516785 /nfs/dbraw/zinc/51/67/85/615516785.db2.gz ZPCQJDUAUDFOFZ-CYBMUJFWSA-N 1 0 280.368 0.947 20 10 CCCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000848900790 615683017 /nfs/dbraw/zinc/68/30/17/615683017.db2.gz JZHTWMKSHSXHSV-GFCCVEGCSA-N 1 0 289.335 0.691 20 10 CCCDRO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877078000 615812996 /nfs/dbraw/zinc/81/29/96/615812996.db2.gz YSLLPLFMXOSBLI-CYBMUJFWSA-N 1 0 290.367 0.490 20 10 CCCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccccc1O ZINC000866829961 615887066 /nfs/dbraw/zinc/88/70/66/615887066.db2.gz NZIKQKIDHJIQMU-UHFFFAOYSA-N 1 0 272.370 0.763 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000846677431 615912343 /nfs/dbraw/zinc/91/23/43/615912343.db2.gz PQJVAPRECJNKIH-HNNXBMFYSA-N 1 0 292.427 0.990 20 10 CCCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCO)[NH+](C)C)cc1 ZINC000929914482 616018966 /nfs/dbraw/zinc/01/89/66/616018966.db2.gz BJIINFTVYJGNFS-CQSZACIVSA-N 1 0 294.399 0.647 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(N)=O)CC2)cc1 ZINC000832272478 616019143 /nfs/dbraw/zinc/01/91/43/616019143.db2.gz GAYPBFFXUFCGMP-LBPRGKRZSA-N 1 0 290.367 0.134 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccnn2)cc1 ZINC000876507220 616019428 /nfs/dbraw/zinc/01/94/28/616019428.db2.gz YEOYVDAXMSEXCH-ZDUSSCGKSA-N 1 0 285.351 0.972 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000043709846 616167274 /nfs/dbraw/zinc/16/72/74/616167274.db2.gz GBCKFHPDTZHRDS-AWEZNQCLSA-N 1 0 277.368 0.699 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccccc1O ZINC000843122722 616398814 /nfs/dbraw/zinc/39/88/14/616398814.db2.gz DMZYQZWEIQCXIQ-LBPRGKRZSA-N 1 0 264.325 0.729 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843435527 616424229 /nfs/dbraw/zinc/42/42/29/616424229.db2.gz VNXBUSYBTWVGHF-VXGBXAGGSA-N 1 0 295.335 0.757 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000901132169 616477614 /nfs/dbraw/zinc/47/76/14/616477614.db2.gz RTAQHFBMWCPGLH-YGRLFVJLSA-N 1 0 280.324 0.169 20 10 CCCDRO COCC[NH2+]CCNC(=O)N(C)Cc1ccccc1O ZINC000841967971 616509033 /nfs/dbraw/zinc/50/90/33/616509033.db2.gz JJDVHPXXAZBAGL-UHFFFAOYSA-N 1 0 281.356 0.770 20 10 CCCDRO COCCOCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298738 616527825 /nfs/dbraw/zinc/52/78/25/616527825.db2.gz OHTQYLLGKVHJMH-CQSZACIVSA-N 1 0 295.383 0.532 20 10 CCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000862527789 616560062 /nfs/dbraw/zinc/56/00/62/616560062.db2.gz GPRNYBVDYCYMSR-UHFFFAOYSA-N 1 0 294.351 0.860 20 10 CCCDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000832658903 616576592 /nfs/dbraw/zinc/57/65/92/616576592.db2.gz GWDAOZSMQLHSCX-LBPRGKRZSA-N 1 0 279.340 0.208 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000877706276 616597581 /nfs/dbraw/zinc/59/75/81/616597581.db2.gz JJYJFYRLODUSBC-UHFFFAOYSA-N 1 0 280.324 0.382 20 10 CCCDRO COCC[C@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883111972 616668520 /nfs/dbraw/zinc/66/85/20/616668520.db2.gz VGGRTGGWNWPLGD-SNVBAGLBSA-N 1 0 255.314 0.888 20 10 CCCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000846052138 616813928 /nfs/dbraw/zinc/81/39/28/616813928.db2.gz BEJFJXQCDDNMHM-VXGBXAGGSA-N 1 0 297.351 0.991 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000877463650 617021122 /nfs/dbraw/zinc/02/11/22/617021122.db2.gz IFRYGGFACCMJLA-UHFFFAOYSA-N 1 0 258.343 0.339 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000052809039 623065097 /nfs/dbraw/zinc/06/50/97/623065097.db2.gz YMAACEJPPYTTBA-NSHDSACASA-N 1 0 252.314 0.714 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1C ZINC001020534786 624504815 /nfs/dbraw/zinc/50/48/15/624504815.db2.gz KDYMKKYUZNXLGB-HAQNSBGRSA-N 1 0 291.351 0.226 20 10 CCCDRO COc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)c(O)c1OC ZINC000895539273 632097000 /nfs/dbraw/zinc/09/70/00/632097000.db2.gz WLQDRRITMVWNKR-HNNXBMFYSA-N 1 0 297.351 0.993 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000183449381 638558085 /nfs/dbraw/zinc/55/80/85/638558085.db2.gz WDDKPYKPQYSOOO-VIFPVBQESA-N 1 0 250.298 0.708 20 10 CCCDRO C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CN1CCO ZINC000841456072 638851217 /nfs/dbraw/zinc/85/12/17/638851217.db2.gz CSRXYTCHRQHRKS-MNOVXSKESA-N 1 0 294.351 0.625 20 10 CCCDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccccc2O)C1 ZINC000800891277 640624922 /nfs/dbraw/zinc/62/49/22/640624922.db2.gz IRPAHSFKYIBYOM-UHFFFAOYSA-N 1 0 270.354 0.562 20 10 CCCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122403 641381874 /nfs/dbraw/zinc/38/18/74/641381874.db2.gz WMKXIFARIMYZEC-UHFFFAOYSA-N 1 0 295.358 0.752 20 10 CCCDRO OCC1(CO)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000827482705 642009682 /nfs/dbraw/zinc/00/96/82/642009682.db2.gz ZJDOYBZBNYJXMY-UHFFFAOYSA-N 1 0 281.308 0.298 20 10 CCCDRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000841101241 642802915 /nfs/dbraw/zinc/80/29/15/642802915.db2.gz SYTRPAWKPYZCON-LLVKDONJSA-N 1 0 280.324 0.671 20 10 CCCDRO Oc1ccc(F)cc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841085558 642803397 /nfs/dbraw/zinc/80/33/97/642803397.db2.gz HAKQJPANBZHWDP-LBPRGKRZSA-N 1 0 254.305 0.999 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CNCCO1 ZINC000841099214 642803514 /nfs/dbraw/zinc/80/35/14/642803514.db2.gz MCIWOSLMURKDSM-SNVBAGLBSA-N 1 0 252.314 0.479 20 10 CCCDRO Oc1cc2c(cc1CNCC13CC(C1)C[NH2+]3)OCO2 ZINC000853246744 644094017 /nfs/dbraw/zinc/09/40/17/644094017.db2.gz RSHFZWGGYBKUIO-UHFFFAOYSA-N 1 0 262.309 0.963 20 10 CCCDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865666835 645396395 /nfs/dbraw/zinc/39/63/95/645396395.db2.gz OVMIJEXZEVJWNF-DZGCQCFKSA-N 1 0 296.342 0.512 20 10 CCCDRO O[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865750606 645411540 /nfs/dbraw/zinc/41/15/40/645411540.db2.gz STTLNLFGTSAWFW-HZPDHXFCSA-N 1 0 292.379 0.763 20 10 CCCDRO Cc1ccc(C[NH2+]CCC(=O)N2CCN(C)CC2)c(O)c1 ZINC000877018582 646717856 /nfs/dbraw/zinc/71/78/56/646717856.db2.gz XYRXCCHERYKDTC-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO OCC(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877065369 646725076 /nfs/dbraw/zinc/72/50/76/646725076.db2.gz LAEOGMQVSQPTIJ-UHFFFAOYSA-N 1 0 280.368 0.091 20 10 CCCDRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC000877169139 646746206 /nfs/dbraw/zinc/74/62/06/646746206.db2.gz HVSOZVNWJIQFJF-UHFFFAOYSA-N 1 0 289.335 0.875 20 10 CCCDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1ccc(N)cc1)C2 ZINC000877379837 646806355 /nfs/dbraw/zinc/80/63/55/646806355.db2.gz NWYVZMXGYPHXBK-SWLSCSKDSA-N 1 0 259.353 0.879 20 10 CCCDRO OCC[NH+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877648637 646831533 /nfs/dbraw/zinc/83/15/33/646831533.db2.gz GSEACTVLLMDACF-UHFFFAOYSA-N 1 0 294.395 0.434 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000877658626 646832878 /nfs/dbraw/zinc/83/28/78/646832878.db2.gz VFPZOHXQMZMOJM-GFCCVEGCSA-N 1 0 250.342 0.857 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c1 ZINC001277463358 805647595 /nfs/dbraw/zinc/64/75/95/805647595.db2.gz JWUSSPUYDGWXOT-IINYFYTJSA-N 1 0 262.309 0.851 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)cc1O ZINC001231634238 805821825 /nfs/dbraw/zinc/82/18/25/805821825.db2.gz JRJWWWLLMTUJHW-HUUCEWRRSA-N 1 0 297.351 0.672 20 10 CCCDRO CN1CCOc2cc(C[NH+]3CC4(C[C@@H]4C(N)=O)C3)ccc21 ZINC001277654044 805927833 /nfs/dbraw/zinc/92/78/33/805927833.db2.gz XHSQMRQPZJZDQO-GFCCVEGCSA-N 1 0 287.363 0.822 20 10 CCCDRO CN(C)c1ccc(C[NH+]2CCN(CCCO)CC2)c(O)c1 ZINC001232836026 805985921 /nfs/dbraw/zinc/98/59/21/805985921.db2.gz KDQGEQYLRFFKOI-UHFFFAOYSA-N 1 0 293.411 0.958 20 10 CCCDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014403 806006588 /nfs/dbraw/zinc/00/65/88/806006588.db2.gz SWYVPLMKIAZKHS-OAHLLOKOSA-N 1 0 292.335 0.906 20 10 CCCDRO C[N@H+](CCC1OCCO1)Cc1cc(O)c(O)c(O)c1 ZINC001233015764 806007677 /nfs/dbraw/zinc/00/76/77/806007677.db2.gz ADRXUIBFRMKXJT-UHFFFAOYSA-N 1 0 269.297 0.998 20 10 CCCDRO COC(=O)C1CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483211 806058285 /nfs/dbraw/zinc/05/82/85/806058285.db2.gz QXMFGJBTTDTIGB-UHFFFAOYSA-N 1 0 253.254 0.408 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001140619894 791690982 /nfs/dbraw/zinc/69/09/82/791690982.db2.gz UGVQRQIKZAYOSR-SMDDNHRTSA-N 1 0 251.326 0.876 20 10 CCCDRO CN(C)c1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064876 806368318 /nfs/dbraw/zinc/36/83/18/806368318.db2.gz YQBMENCXDPRJDL-INIZCTEOSA-N 1 0 290.411 0.596 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(O)c(O)c(OC)c2)C[C@H]1[NH3+] ZINC001236338752 806569908 /nfs/dbraw/zinc/56/99/08/806569908.db2.gz CEGYPDURENACCE-NXEZZACHSA-N 1 0 296.323 0.039 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(OC)cc2O)C[C@H]1[NH3+] ZINC001236343434 806572813 /nfs/dbraw/zinc/57/28/13/806572813.db2.gz PKUBMIQFWVGNSN-NWDGAFQWSA-N 1 0 280.324 0.333 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1OC ZINC001236748969 806607975 /nfs/dbraw/zinc/60/79/75/806607975.db2.gz DFGIBISGDVULEU-NEPJUHHUSA-N 1 0 297.351 0.585 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001237049487 806634518 /nfs/dbraw/zinc/63/45/18/806634518.db2.gz GVNMQZULJNVPNI-JSGCOSHPSA-N 1 0 281.352 0.966 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001237492533 806674911 /nfs/dbraw/zinc/67/49/11/806674911.db2.gz RZMYJUJIWCVGLX-LBPRGKRZSA-N 1 0 276.336 0.744 20 10 CCCDRO O=C(NCc1ccccc1O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121827864 799074278 /nfs/dbraw/zinc/07/42/78/799074278.db2.gz BWOZBPHDENZKIR-ZDUSSCGKSA-N 1 0 276.336 0.777 20 10 CCCDRO Cc1cc(F)cc(CN2CCN3C(=O)COC[C@H]3C2)c1O ZINC001238070854 806746602 /nfs/dbraw/zinc/74/66/02/806746602.db2.gz QAFMYGHACGFYSY-CYBMUJFWSA-N 1 0 294.326 0.883 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001140619459 799924942 /nfs/dbraw/zinc/92/49/42/799924942.db2.gz DORANPKQJIMENH-OCCSQVGLSA-N 1 0 251.326 0.876 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001141031896 799973825 /nfs/dbraw/zinc/97/38/25/799973825.db2.gz NMHTVKWUUUXTBL-MFKMUULPSA-N 1 0 297.351 0.585 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c(OC)c1 ZINC001141032091 799973837 /nfs/dbraw/zinc/97/38/37/799973837.db2.gz RTHGLXGFJLSEIL-HNNXBMFYSA-N 1 0 297.351 0.993 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001203589333 803035726 /nfs/dbraw/zinc/03/57/26/803035726.db2.gz GEYIBIUWEVIFTJ-UKRRQHHQSA-N 1 0 281.352 0.966 20 10 CCCDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)CO)c1O ZINC001203603648 803036573 /nfs/dbraw/zinc/03/65/73/803036573.db2.gz VFOYOSNULZOPKK-LLVKDONJSA-N 1 0 255.314 0.576 20 10 CCCDRO COC(=O)C1(O)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203681236 803041002 /nfs/dbraw/zinc/04/10/02/803041002.db2.gz QTOQRTZHZPLKND-UHFFFAOYSA-N 1 0 295.335 0.901 20 10 CCCDRO COc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc(O)c1O ZINC001204340392 803078752 /nfs/dbraw/zinc/07/87/52/803078752.db2.gz PGYQHRGJPCWARI-JTQLQIEISA-N 1 0 280.324 0.804 20 10 CCCDRO CN1CCOc2cc(CN3C[C@@H](F)[C@@H]([NH3+])C3)ccc21 ZINC001204830168 803103283 /nfs/dbraw/zinc/10/32/83/803103283.db2.gz MLVXBKOOYAMPQX-NEPJUHHUSA-N 1 0 265.332 0.996 20 10 CCCDRO [NH3+][C@@H]1CCN(Cc2c(O)cccc2Cl)C[C@H]1O ZINC001205958718 803192013 /nfs/dbraw/zinc/19/20/13/803192013.db2.gz FABMFPNIJCDCHL-ZYHUDNBSSA-N 1 0 256.733 0.940 20 10 CCCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400255531 803767438 /nfs/dbraw/zinc/76/74/38/803767438.db2.gz FKXCVQMWKANKPK-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001219656921 804395706 /nfs/dbraw/zinc/39/57/06/804395706.db2.gz FHGOFYNZTHGZMB-BDAKNGLRSA-N 1 0 280.324 0.779 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001219814921 804427621 /nfs/dbraw/zinc/42/76/21/804427621.db2.gz OTMPZMAEEHBSKI-WFASDCNBSA-N 1 0 275.352 0.164 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001220321600 804573530 /nfs/dbraw/zinc/57/35/30/804573530.db2.gz WBYLBVXNAUKKBJ-GOEBONIOSA-N 1 0 289.379 0.839 20 10 CCCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276829981 804899558 /nfs/dbraw/zinc/89/95/58/804899558.db2.gz DWUNOKOJXQDXSP-AOOOYVTPSA-N 1 0 250.298 0.692 20 10 CCCDRO COc1ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222491981 804904375 /nfs/dbraw/zinc/90/43/75/804904375.db2.gz MBMPYYIBINNSED-GJZGRUSLSA-N 1 0 291.395 0.927 20 10 CCCDRO COc1cc(C)c(C[N@H+](CCO)CCCO)c(O)c1 ZINC001204867154 815043508 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813612442 /nfs/dbraw/zinc/61/24/42/813612442.db2.gz WRPYVFVIIOJDJY-UHFFFAOYSA-N 1 0 292.335 0.971 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000699969440 817098464 /nfs/dbraw/zinc/09/84/64/817098464.db2.gz BZUPRRZPZCCMDO-CMPLNLGQSA-N 1 0 271.338 0.294 20 10 CCCDRO COc1cc(CN2CC[C@H]([NH3+])C2)c(O)c(OC)c1 ZINC001236173317 817138175 /nfs/dbraw/zinc/13/81/75/817138175.db2.gz IOXQPRXNAKOUBV-JTQLQIEISA-N 1 0 252.314 0.942 20 10 CCCDRO CS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000703119075 819226544 /nfs/dbraw/zinc/22/65/44/819226544.db2.gz QTUARJDHFVJCJQ-UHFFFAOYSA-N 1 0 284.381 0.906 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)CC(=O)N2C ZINC001170994018 839676522 /nfs/dbraw/zinc/67/65/22/839676522.db2.gz JBTVFUPUIDGHDP-UHFFFAOYSA-N 1 0 291.351 0.534 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001144504563 840069624 /nfs/dbraw/zinc/06/96/24/840069624.db2.gz VHDFBEMRXXCZFK-JTQLQIEISA-N 1 0 280.324 0.320 20 10 CCCDRO CN1CCO[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144510441 840073082 /nfs/dbraw/zinc/07/30/82/840073082.db2.gz YXGMWLHUJQUYQD-RISCZKNCSA-N 1 0 280.324 0.318 20 10 CCCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515684 840075781 /nfs/dbraw/zinc/07/57/81/840075781.db2.gz DLNYPDZMNAFMBJ-JTQLQIEISA-N 1 0 280.324 0.856 20 10 CCCDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cccc(O)c1O ZINC001148220073 840767233 /nfs/dbraw/zinc/76/72/33/840767233.db2.gz OMXNXVODOLNBAB-UHFFFAOYSA-N 1 0 274.280 0.229 20 10 CCCDRO CCN1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001172021840 841798774 /nfs/dbraw/zinc/79/87/74/841798774.db2.gz QFUXYVTUVSGHBF-RISCZKNCSA-N 1 0 294.351 0.732 20 10 CCCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001178917826 842939975 /nfs/dbraw/zinc/93/99/75/842939975.db2.gz UHZTVXOQZFJKEU-SNVBAGLBSA-N 1 0 250.298 0.808 20 10 CCCDRO C[NH+](C)CCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182153999 843738078 /nfs/dbraw/zinc/73/80/78/843738078.db2.gz SSWSSBSBFBGYTD-UHFFFAOYSA-N 1 0 252.314 0.708 20 10 CCCDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(O)c1O ZINC001193119661 845985882 /nfs/dbraw/zinc/98/58/82/845985882.db2.gz KADQYIWOXOOHNL-VIFPVBQESA-N 1 0 280.324 0.788 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000394380702 854175573 /nfs/dbraw/zinc/17/55/73/854175573.db2.gz PSCJOJNOHMPNLF-OAHLLOKOSA-N 1 0 288.395 0.317 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cccc(CC)c1O ZINC000691454074 855586344 /nfs/dbraw/zinc/58/63/44/855586344.db2.gz ORHQOJSUBVHUCU-UHFFFAOYSA-N 1 0 286.397 0.984 20 10 CCCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001118123877 856168807 /nfs/dbraw/zinc/16/88/07/856168807.db2.gz UTGRMVQNRUSSLF-NSHDSACASA-N 1 0 291.351 0.171 20 10 CCCDRO Fc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1N1CCOCC1 ZINC001325318317 913339898 /nfs/dbraw/zinc/33/98/98/913339898.db2.gz DQKKQYBEDAARIU-VIKVFOODSA-N 1 0 291.370 0.970 20 10 CCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CC(N)=O)cc1C ZINC001481216651 892366253 /nfs/dbraw/zinc/36/62/53/892366253.db2.gz KRLVEHXMAVLRKR-UHFFFAOYSA-N 1 0 293.367 0.427 20 10 CCCDRO Nc1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC001337018981 921156247 /nfs/dbraw/zinc/15/62/47/921156247.db2.gz NYVBMDACYLUOLH-ZDUSSCGKSA-N 1 0 278.356 0.528 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC001339716141 908476693 /nfs/dbraw/zinc/47/66/93/908476693.db2.gz SQEUEEHLRAVAQT-GWCFXTLKSA-N 1 0 265.357 0.144 20 10 CCCDRO CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1cn[nH]c1 ZINC001329936526 916293287 /nfs/dbraw/zinc/29/32/87/916293287.db2.gz GZEONGQDFSUSAO-QMMMGPOBSA-N 1 0 260.301 0.486 20 10 CCCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001334953549 919862826 /nfs/dbraw/zinc/86/28/26/919862826.db2.gz VQIAMZLNYJCDBK-AWEZNQCLSA-N 1 0 285.340 0.896 20 10 CCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336287218 920700297 /nfs/dbraw/zinc/70/02/97/920700297.db2.gz YCSDWTAKXHHDGU-UHFFFAOYSA-N 1 0 298.412 0.287 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccccc1O ZINC001340340645 922060108 /nfs/dbraw/zinc/06/01/08/922060108.db2.gz OLQQLUPOCZVXDY-CABZTGNLSA-N 1 0 252.314 0.225 20 10 CCCDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001342614203 923027364 /nfs/dbraw/zinc/02/73/64/923027364.db2.gz SRSCHZQGDSPFTL-PRHODGIISA-N 1 0 268.288 0.511 20 10 CCCDRO C[S@](=O)C1(C(=O)NCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001342699659 923060432 /nfs/dbraw/zinc/06/04/32/923060432.db2.gz MYZIGCYHAUCHFO-FQEVSTJZSA-N 1 0 295.408 0.386 20 10 CCCDRO COC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC001343055969 923186048 /nfs/dbraw/zinc/18/60/48/923186048.db2.gz QWQQAPUNEBPMLP-ZDUSSCGKSA-N 1 0 263.341 0.258 20 10 CCCDRO COc1ccc(N2CCN(C(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001343354301 923282235 /nfs/dbraw/zinc/28/22/35/923282235.db2.gz OZFPVTIFRCXGCN-ZDUSSCGKSA-N 1 0 293.367 0.054 20 10 CCCDRO COc1ccc(N2CCC(NC(=O)[C@H]([NH3+])CO)CC2)cc1 ZINC001353535563 925864619 /nfs/dbraw/zinc/86/46/19/925864619.db2.gz TYQVCYTVXIVLAX-CQSZACIVSA-N 1 0 293.367 0.100 20 10 CCCDRO C[C@H](NC(=O)C1(C[NH3+])CC(O)C1)c1ccccc1O ZINC001357993648 926617317 /nfs/dbraw/zinc/61/73/17/926617317.db2.gz PUHYXIBTTLOEFF-IPWFMCSPSA-N 1 0 264.325 0.669 20 10 CCCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2c(O)cccc2F)C1 ZINC001358168134 926649618 /nfs/dbraw/zinc/64/96/18/926649618.db2.gz OIHUJWDKYKXSGN-YMTOWFKASA-N 1 0 282.315 0.915 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037823770 348211638 /nfs/dbraw/zinc/21/16/38/348211638.db2.gz LDKSRWCLBKWSBB-WDEREUQCSA-N 1 0 250.298 0.073 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1C ZINC000050926874 348481345 /nfs/dbraw/zinc/48/13/45/348481345.db2.gz DGGXGJOJQQJALQ-ZDUSSCGKSA-N 1 0 264.325 0.695 20 10 CCCDRO CCN(C)C(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185176268 351437281 /nfs/dbraw/zinc/43/72/81/351437281.db2.gz QCWPGFMIBAGZDI-UHFFFAOYSA-N 1 0 266.297 0.689 20 10 CCCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1O ZINC000273131708 353109714 /nfs/dbraw/zinc/10/97/14/353109714.db2.gz VDSRIXCVRRIFBD-GFCCVEGCSA-N 1 0 278.352 0.977 20 10 CCCDRO COC(=O)c1cn(CC[NH2+]Cc2ccccc2O)nn1 ZINC000283957636 353539586 /nfs/dbraw/zinc/53/95/86/353539586.db2.gz KMCRKUHFAPXTPT-UHFFFAOYSA-N 1 0 276.296 0.560 20 10 CCCDRO COc1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC000294774303 199176758 /nfs/dbraw/zinc/17/67/58/199176758.db2.gz KNBNQZDDGBJTLT-LLVKDONJSA-N 1 0 253.298 0.594 20 10 CCCDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)N1 ZINC000193467397 389070675 /nfs/dbraw/zinc/07/06/75/389070675.db2.gz IWPKRWDVWUIUDN-AWEZNQCLSA-N 1 0 293.298 0.705 20 10 CCCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126272475 389168884 /nfs/dbraw/zinc/16/88/84/389168884.db2.gz TVYGDUBCMQGYPA-VIFPVBQESA-N 1 0 250.298 0.779 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000366785054 389310190 /nfs/dbraw/zinc/31/01/90/389310190.db2.gz UYVDDDJUDCDLJU-JSGCOSHPSA-N 1 0 276.336 0.790 20 10 CCCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(OC)ccc1O ZINC000276275315 389515619 /nfs/dbraw/zinc/51/56/19/389515619.db2.gz RGFBZCSFMUYNTB-UONOGXRCSA-N 1 0 295.335 0.899 20 10 CCCDRO COC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1O ZINC000179552762 389659612 /nfs/dbraw/zinc/65/96/12/389659612.db2.gz BZDVPSKVRLIALS-NSHDSACASA-N 1 0 278.308 0.256 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000179713325 389662253 /nfs/dbraw/zinc/66/22/53/389662253.db2.gz WHYQRBYORVZIGP-JTQLQIEISA-N 1 0 253.298 0.976 20 10 CCCDRO NC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180021364 389665220 /nfs/dbraw/zinc/66/52/20/389665220.db2.gz MVJCTXUQXINGBP-NSHDSACASA-N 1 0 254.261 0.217 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000376694230 268009105 /nfs/dbraw/zinc/00/91/05/268009105.db2.gz GRRFKSPVDRFJSS-CYBMUJFWSA-N 1 0 251.305 0.629 20 10 CCCDRO COC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000069053780 274051279 /nfs/dbraw/zinc/05/12/79/274051279.db2.gz WTTAZOURSITEBM-CQSZACIVSA-N 1 0 280.368 0.825 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000270942352 328194094 /nfs/dbraw/zinc/19/40/94/328194094.db2.gz MYHCUBWMSIHPFS-HNNXBMFYSA-N 1 0 291.395 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FHUJFUNPKBAZMO-LLVKDONJSA-N 1 0 275.308 0.437 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779543757 581189747 /nfs/dbraw/zinc/18/97/47/581189747.db2.gz DPMXRAHFJCKFAN-XQRVVYSFSA-N 1 0 294.351 0.805 20 10 CCCDRO COC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000788020730 581370373 /nfs/dbraw/zinc/37/03/73/581370373.db2.gz SRFTXQWMQYZXBZ-CYBMUJFWSA-N 1 0 253.298 0.748 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC000754140321 581577545 /nfs/dbraw/zinc/57/75/45/581577545.db2.gz MOZSHXGXEKPHBD-MRVPVSSYSA-N 1 0 278.312 0.673 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000785984485 581597727 /nfs/dbraw/zinc/59/77/27/581597727.db2.gz GHCLLOKNTCDXQR-NSHDSACASA-N 1 0 270.354 0.563 20 10 CCCDRO CN1CCN(C(=O)C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000749922433 582027058 /nfs/dbraw/zinc/02/70/58/582027058.db2.gz BVKZTVAMODBLCV-UHFFFAOYSA-N 1 0 297.786 0.909 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCNC2=O)cc1OC ZINC000768464918 582107145 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ZINC000895667595 617260244 /nfs/dbraw/zinc/26/02/44/617260244.db2.gz RFRIYNVYONDSCU-SECBINFHSA-N 1 0 298.339 0.907 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[NH2+]2)cc1 ZINC000846697905 617267138 /nfs/dbraw/zinc/26/71/38/617267138.db2.gz YCBNIJKAFWAMFH-CQSZACIVSA-N 1 0 277.368 0.952 20 10 CCCDRO COc1ccc(N(C)CCN(C)C(=O)COCC[NH3+])cc1 ZINC000846697181 617267212 /nfs/dbraw/zinc/26/72/12/617267212.db2.gz MBPVQDXHUDTKCX-UHFFFAOYSA-N 1 0 295.383 0.565 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000851640152 617267945 /nfs/dbraw/zinc/26/79/45/617267945.db2.gz RHODNJLUFIXFIL-WDEREUQCSA-N 1 0 263.341 0.737 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2OCC[C@@H]2[NH3+])c1 ZINC000876878393 617274053 /nfs/dbraw/zinc/27/40/53/617274053.db2.gz AWQXMXZRUVBFIQ-YDEJPDAXSA-N 1 0 280.324 0.694 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000828666435 617274385 /nfs/dbraw/zinc/27/43/85/617274385.db2.gz CKAVCWGFVFAQET-GZMMTYOYSA-N 1 0 250.298 0.940 20 10 CCCDRO COc1cccc(CN2CCOC3(C[NH2+]C3)C2)c1O ZINC000853248392 617297530 /nfs/dbraw/zinc/29/75/30/617297530.db2.gz FQLRAXRQWBYXBL-UHFFFAOYSA-N 1 0 264.325 0.575 20 10 CCCDRO COc1cccc(CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1O ZINC000842003501 617298992 /nfs/dbraw/zinc/29/89/92/617298992.db2.gz IFBRTWPHPWIPEY-DTWKUNHWSA-N 1 0 267.329 0.936 20 10 CCCDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000869779253 614191274 /nfs/dbraw/zinc/19/12/74/614191274.db2.gz WEKNINVUANNHSQ-JTQLQIEISA-N 1 0 294.351 0.673 20 10 CCCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C(CO)CO)c1O ZINC000846941005 614249476 /nfs/dbraw/zinc/24/94/76/614249476.db2.gz RRSLZPPFGKNILD-UHFFFAOYSA-N 1 0 273.716 0.691 20 10 CCCDRO CCN(OC)C(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000842769228 615076152 /nfs/dbraw/zinc/07/61/52/615076152.db2.gz KIQHYUSEJOHIEL-UHFFFAOYSA-N 1 0 282.296 0.620 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877007765 615105100 /nfs/dbraw/zinc/10/51/00/615105100.db2.gz DITYQSHVCDQTPS-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CCc1cccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1O ZINC000848904377 615683313 /nfs/dbraw/zinc/68/33/13/615683313.db2.gz RWQJGQNBXXEGRN-UHFFFAOYSA-N 1 0 298.408 0.936 20 10 CCCDRO CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927022239 615818806 /nfs/dbraw/zinc/81/88/06/615818806.db2.gz DWYFOKTXSIJLED-JQWIXIFHSA-N 1 0 287.381 0.838 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000852629467 616013843 /nfs/dbraw/zinc/01/38/43/616013843.db2.gz BXBPASHKPROOEN-UHFFFAOYSA-N 1 0 264.369 0.929 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCCc2nnnn2C)cc1 ZINC000898041779 616015702 /nfs/dbraw/zinc/01/57/02/616015702.db2.gz APYWPTAVQGCVFG-UHFFFAOYSA-N 1 0 274.372 0.999 20 10 CCCDRO CN(C)c1ccc(Cn2cc(COCC[NH3+])nn2)cc1 ZINC000881272149 616015984 /nfs/dbraw/zinc/01/59/84/616015984.db2.gz OBAWWXHNXNWXDH-UHFFFAOYSA-N 1 0 275.356 0.868 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2cncn2)cc1 ZINC000843299627 616019014 /nfs/dbraw/zinc/01/90/14/616019014.db2.gz VIAMSUZOWGAEAI-ZDUSSCGKSA-N 1 0 288.355 0.160 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2COCCO2)cc1 ZINC000832300277 616019062 /nfs/dbraw/zinc/01/90/62/616019062.db2.gz QPZQSGGPJZTKOX-KBPBESRZSA-N 1 0 293.367 0.284 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000843299733 616019088 /nfs/dbraw/zinc/01/90/88/616019088.db2.gz WOIWJKWCNYBBPO-QWHCGFSZSA-N 1 0 290.367 0.147 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852816752 616170896 /nfs/dbraw/zinc/17/08/96/616170896.db2.gz FIJJSMAEXVNQRH-AAEUAGOBSA-N 1 0 264.325 0.714 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000924990483 616480262 /nfs/dbraw/zinc/48/02/62/616480262.db2.gz VXWKHQXUUANTAH-UHOOHFNOSA-N 1 0 292.335 0.292 20 10 CCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877678189 616583091 /nfs/dbraw/zinc/58/30/91/616583091.db2.gz CSPYMOOMWKVYGT-QWRGUYRKSA-N 1 0 294.351 0.856 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000884309878 616637812 /nfs/dbraw/zinc/63/78/12/616637812.db2.gz IAEJWSAEBIMWPT-JOYOIKCWSA-N 1 0 282.340 0.942 20 10 CCCDRO COCCN(C)C[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821391551 616965848 /nfs/dbraw/zinc/96/58/48/616965848.db2.gz OAYZCWRLLXZOFX-AWEZNQCLSA-N 1 0 282.384 0.763 20 10 CCCDRO CO[C@]1(C[NH2+]Cc2c(C)cccc2O)CCS(=O)(=O)C1 ZINC000896683688 617137548 /nfs/dbraw/zinc/13/75/48/617137548.db2.gz UQKZYTSXLLIFLY-AWEZNQCLSA-N 1 0 299.392 0.994 20 10 CCCDRO OC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902631434 634420036 /nfs/dbraw/zinc/42/00/36/634420036.db2.gz HVGZEPNQVAOGRC-CABZTGNLSA-N 1 0 251.282 0.385 20 10 CCCDRO [NH3+][C@]1(CO)CCCN(Cc2cccc(F)c2O)C1 ZINC000904402026 634742605 /nfs/dbraw/zinc/74/26/05/634742605.db2.gz KVUDJKIGKCACGG-CYBMUJFWSA-N 1 0 254.305 0.817 20 10 CCCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1 ZINC000927027275 633578210 /nfs/dbraw/zinc/57/82/10/633578210.db2.gz SUNJNMYNYGPEOA-WDEREUQCSA-N 1 0 287.381 0.757 20 10 CCCDRO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1O ZINC000045066875 636878525 /nfs/dbraw/zinc/87/85/25/636878525.db2.gz PZYQBJCXELHQDC-SECBINFHSA-N 1 0 258.343 0.721 20 10 CCCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cn1ccnn1 ZINC000922177997 639544790 /nfs/dbraw/zinc/54/47/90/639544790.db2.gz MHGXAITUWHEEIS-AWEZNQCLSA-N 1 0 288.351 0.754 20 10 CCCDRO Cc1cc(N(C)C)ccc1CN(CC[NH3+])CCO ZINC000841059486 642801985 /nfs/dbraw/zinc/80/19/85/642801985.db2.gz SIJJGUSSHYSAHI-UHFFFAOYSA-N 1 0 251.374 0.814 20 10 CCCDRO [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048256 642981686 /nfs/dbraw/zinc/98/16/86/642981686.db2.gz UXCZMOVLKDWPFM-LBPRGKRZSA-N 1 0 295.358 0.818 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(C)(C(N)=O)C2)cc1OC ZINC000843415496 643051504 /nfs/dbraw/zinc/05/15/04/643051504.db2.gz HOLYYZVSZISCRI-UHFFFAOYSA-N 1 0 280.324 0.717 20 10 CCCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000844218523 643184219 /nfs/dbraw/zinc/18/42/19/643184219.db2.gz BPAMTFLIUIPXSA-CYBMUJFWSA-N 1 0 290.411 0.663 20 10 CCCDRO C[C@@H](C[NH3+])N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844218936 643184241 /nfs/dbraw/zinc/18/42/41/643184241.db2.gz FWMNYARQFDTNMP-ZDUSSCGKSA-N 1 0 292.427 0.990 20 10 CCCDRO Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(O)c1O ZINC000848306336 643619196 /nfs/dbraw/zinc/61/91/96/643619196.db2.gz PHBVAKPMFHPASN-WDEREUQCSA-N 1 0 292.335 0.297 20 10 CCCDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1O ZINC000852882871 644041433 /nfs/dbraw/zinc/04/14/33/644041433.db2.gz BTCFDCZXSLHZLP-PWSUYJOCSA-N 1 0 250.298 0.372 20 10 CCCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861715885 644915386 /nfs/dbraw/zinc/91/53/86/644915386.db2.gz RAUCNGAOIPEVKQ-GHMZBOCLSA-N 1 0 292.335 0.379 20 10 CCCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832860 645132644 /nfs/dbraw/zinc/13/26/44/645132644.db2.gz HDQQBBRFZJLLJD-QQHVMHFCSA-N 1 0 292.335 0.294 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000876750925 646657469 /nfs/dbraw/zinc/65/74/69/646657469.db2.gz KQVZVRNPGHNHSG-LLVKDONJSA-N 1 0 284.381 0.824 20 10 CCCDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000876759549 646659947 /nfs/dbraw/zinc/65/99/47/646659947.db2.gz LBXYAPWVVAIRHC-CQSZACIVSA-N 1 0 294.395 0.826 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000877504020 646820520 /nfs/dbraw/zinc/82/05/20/646820520.db2.gz ZLZJVQAVQUCTHH-UHFFFAOYSA-N 1 0 284.381 0.870 20 10 CCCDRO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1 ZINC000877763879 646840039 /nfs/dbraw/zinc/84/00/39/646840039.db2.gz MPWYABFIDSKHSL-BETUJISGSA-N 1 0 251.326 0.733 20 10 CCCDRO C[C@H]([NH2+]CCN(C)CCOCCO)c1ccccc1O ZINC000883350656 647515340 /nfs/dbraw/zinc/51/53/40/647515340.db2.gz LWABPSYDLGXAKF-ZDUSSCGKSA-N 1 0 282.384 0.984 20 10 CCCDRO COc1cccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c1O ZINC001277451883 805591667 /nfs/dbraw/zinc/59/16/67/805591667.db2.gz LOVOQHULBZZEDT-UHFFFAOYSA-N 1 0 262.309 0.898 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](O)C[NH3+] ZINC000705614790 790593047 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C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000147627109 389273889 /nfs/dbraw/zinc/27/38/89/389273889.db2.gz BBPHMRSMVVVKIO-LLVKDONJSA-N 1 0 295.358 0.873 20 10 CCCDRO COc1cc(O)c(C[N@H+](CCO)CCCO)cc1OC ZINC000271710380 286239001 /nfs/dbraw/zinc/23/90/01/286239001.db2.gz GOPRZJMJYDGKSV-UHFFFAOYSA-N 1 0 285.340 0.586 20 10 CCCDRO OC[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000273531023 327919525 /nfs/dbraw/zinc/91/95/25/327919525.db2.gz VDEQRYZOECBNSA-ZDUSSCGKSA-N 1 0 267.281 0.362 20 10 CCCDRO COc1c(O)c(C[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000278263072 521865118 /nfs/dbraw/zinc/86/51/18/521865118.db2.gz QRKGFAOHQUHBNK-UHFFFAOYSA-N 1 0 256.258 0.733 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000130430500 522190789 /nfs/dbraw/zinc/19/07/89/522190789.db2.gz GXBHXQWZTZQOKI-ZDUSSCGKSA-N 1 0 277.368 0.747 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1C ZINC000785985047 581426445 /nfs/dbraw/zinc/42/64/45/581426445.db2.gz KFDWVTCZNLNCKW-GFCCVEGCSA-N 1 0 284.381 0.872 20 10 CCCDRO Cn1[nH]cnc1=NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000767295479 581604979 /nfs/dbraw/zinc/60/49/79/581604979.db2.gz JNUIMUBLTPIDPK-UHFFFAOYSA-N 1 0 286.383 0.601 20 10 CCCDRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O ZINC000768772539 581655492 /nfs/dbraw/zinc/65/54/92/581655492.db2.gz ZPBQDXFOIKETOL-IUODEOHRSA-N 1 0 291.395 0.681 20 10 CCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)c1 ZINC000775370754 582021203 /nfs/dbraw/zinc/02/12/03/582021203.db2.gz QHDQKNGNDLFSJL-HTQZYQBOSA-N 1 0 281.312 0.635 20 10 CCCDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775369133 582021272 /nfs/dbraw/zinc/02/12/72/582021272.db2.gz KNQUGLQLNDBOLS-RKDXNWHRSA-N 1 0 295.339 0.896 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c1OC ZINC000891440691 617251238 /nfs/dbraw/zinc/25/12/38/617251238.db2.gz NYSHCSXAFYIYPG-JTQLQIEISA-N 1 0 280.324 0.717 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000852885979 617274358 /nfs/dbraw/zinc/27/43/58/617274358.db2.gz WFIFBBNDDKAHGG-NURSFMCSSA-N 1 0 294.351 0.942 20 10 CCCDRO COc1cccc(O)c1C[N@H+](C)CCOCCO ZINC000800545569 617305010 /nfs/dbraw/zinc/30/50/10/617305010.db2.gz BFOGSGLDTQKADV-UHFFFAOYSA-N 1 0 255.314 0.842 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCNC2=O)c1O ZINC000850482537 617307449 /nfs/dbraw/zinc/30/74/49/617307449.db2.gz TVSYMMUKNQAJOF-SCZZXKLOSA-N 1 0 250.298 0.940 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[NH2+]C1 ZINC000842235300 614585574 /nfs/dbraw/zinc/58/55/74/614585574.db2.gz KIYVWSPAFJSZNO-UHFFFAOYSA-N 1 0 291.351 0.219 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000827482320 615512090 /nfs/dbraw/zinc/51/20/90/615512090.db2.gz WGIZAFRBIIQFCT-UHFFFAOYSA-N 1 0 281.352 0.968 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)COC)c1 ZINC000117946164 615512213 /nfs/dbraw/zinc/51/22/13/615512213.db2.gz JEBSDGMOYTXFPG-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)c1c(F)ccc(O)c1O ZINC000827888364 615906274 /nfs/dbraw/zinc/90/62/74/615906274.db2.gz VTZCTWHQGUDCID-UHFFFAOYSA-N 1 0 286.303 0.545 20 10 CCCDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000835055314 616011317 /nfs/dbraw/zinc/01/13/17/616011317.db2.gz UQQNMONDFWIDSR-JQBDECOXSA-N 1 0 299.374 0.970 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852855365 616015246 /nfs/dbraw/zinc/01/52/46/616015246.db2.gz JFOMABPZVHZQHH-ZIAGYGMSSA-N 1 0 277.368 0.733 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000841651789 616015326 /nfs/dbraw/zinc/01/53/26/616015326.db2.gz AZKCTFMEPGLANJ-LBPRGKRZSA-N 1 0 262.357 0.914 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)nn2)cc1 ZINC000832284594 616019296 /nfs/dbraw/zinc/01/92/96/616019296.db2.gz KUXBLBTWEKJMAY-LBPRGKRZSA-N 1 0 288.355 0.311 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000844218091 616166954 /nfs/dbraw/zinc/16/69/54/616166954.db2.gz QIEVVLZUJGYYLJ-AWEZNQCLSA-N 1 0 290.411 0.744 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000827205405 616170703 /nfs/dbraw/zinc/17/07/03/616170703.db2.gz MLOFJWSKUWQJDR-GFCCVEGCSA-N 1 0 291.351 0.219 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCOCC1 ZINC000929975014 616170991 /nfs/dbraw/zinc/17/09/91/616170991.db2.gz CRSIHKQLDZPVSE-CQSZACIVSA-N 1 0 281.352 0.726 20 10 CCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CO)cc2)CC1 ZINC000918856882 616247121 /nfs/dbraw/zinc/24/71/21/616247121.db2.gz FSILYKXVVKRIHD-UHFFFAOYSA-N 1 0 263.341 0.047 20 10 CCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000877706735 616597337 /nfs/dbraw/zinc/59/73/37/616597337.db2.gz RHQAINTUXGEFFP-UHFFFAOYSA-N 1 0 286.715 0.424 20 10 CCCDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769587 616704635 /nfs/dbraw/zinc/70/46/35/616704635.db2.gz IESXIPQADIRRLM-SECBINFHSA-N 1 0 265.313 0.668 20 10 CCCDRO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650899 616756656 /nfs/dbraw/zinc/75/66/56/616756656.db2.gz VZDQZLYIZUSVAB-TVQRCGJNSA-N 1 0 253.298 0.967 20 10 CCCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000842751913 616828619 /nfs/dbraw/zinc/82/86/19/616828619.db2.gz CEWOXMAQTBKPGL-NOZJJQNGSA-N 1 0 267.281 0.624 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000850360773 616833026 /nfs/dbraw/zinc/83/30/26/616833026.db2.gz JLBGJMXDZARPRS-TZMCWYRMSA-N 1 0 299.392 0.911 20 10 CCCDRO COC[C@]1(CNC(=O)NCc2ccccc2O)CCC[NH2+]1 ZINC000841996240 616874819 /nfs/dbraw/zinc/87/48/19/616874819.db2.gz VGSKBAQUOGDJRN-OAHLLOKOSA-N 1 0 293.367 0.960 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894531938 617021288 /nfs/dbraw/zinc/02/12/88/617021288.db2.gz CHAHHPIZOMXOEW-UHFFFAOYSA-N 1 0 288.369 0.348 20 10 CCCDRO COc1c(O)c(CN2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843065152 617149212 /nfs/dbraw/zinc/14/92/12/617149212.db2.gz JTLDPRADALDZHN-JTQLQIEISA-N 1 0 297.311 0.469 20 10 CCCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841655644 625527318 /nfs/dbraw/zinc/52/73/18/625527318.db2.gz SWZODCSZTDHHCG-JTQLQIEISA-N 1 0 250.346 0.899 20 10 CCCDRO COc1cccc(C[N@H+](C)CCNC(C)=O)c1O ZINC000308250407 624863024 /nfs/dbraw/zinc/86/30/24/624863024.db2.gz AURRCCSTNNMKSC-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@@]1(O)CCOC1 ZINC000905091089 634791558 /nfs/dbraw/zinc/79/15/58/634791558.db2.gz XJQISIJYOFQVCE-ZBFHGGJFSA-N 1 0 293.363 0.614 20 10 CCCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895328507 632057718 /nfs/dbraw/zinc/05/77/18/632057718.db2.gz GVHNPHKOQLMBFU-IINYFYTJSA-N 1 0 281.308 0.439 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC000897058437 632384463 /nfs/dbraw/zinc/38/44/63/632384463.db2.gz OXDVKNVHNRNCRN-NSHDSACASA-N 1 0 284.381 0.811 20 10 CCCDRO COc1cccc(O)c1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087325 635477359 /nfs/dbraw/zinc/47/73/59/635477359.db2.gz UTMKBXSEPQXOQQ-NSHDSACASA-N 1 0 266.341 0.869 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000839166921 640304236 /nfs/dbraw/zinc/30/42/36/640304236.db2.gz UQQDUWGZUGWIGU-SKDRFNHKSA-N 1 0 257.717 0.831 20 10 CCCDRO OC[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839160251 640306616 /nfs/dbraw/zinc/30/66/16/640306616.db2.gz SBKVSDPYJBSKAH-CQSZACIVSA-N 1 0 281.308 0.440 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000840951127 642798717 /nfs/dbraw/zinc/79/87/17/642798717.db2.gz STTPFDTXDUEWAI-OKILXGFUSA-N 1 0 287.363 0.765 20 10 CCCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729612 642833684 /nfs/dbraw/zinc/83/36/84/642833684.db2.gz HMUAPMBXXVYHSR-GFCCVEGCSA-N 1 0 292.383 0.670 20 10 CCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842222049 642883012 /nfs/dbraw/zinc/88/30/12/642883012.db2.gz XOJQCVRRXGTBMS-BXKDBHETSA-N 1 0 256.321 0.723 20 10 CCCDRO C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)c1ccccc1O ZINC000870988696 646074370 /nfs/dbraw/zinc/07/43/70/646074370.db2.gz XETUMKDMVMWKAA-ZYHUDNBSSA-N 1 0 265.357 0.848 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000877440055 646815034 /nfs/dbraw/zinc/81/50/34/646815034.db2.gz YYFRXNKHHJSPAE-UHFFFAOYSA-N 1 0 284.381 0.682 20 10 CCCDRO O=C1NCCN1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000886324531 647965219 /nfs/dbraw/zinc/96/52/19/647965219.db2.gz WVSXZWJAQTVNDQ-UHFFFAOYSA-N 1 0 261.325 0.736 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN[C@H]1C[NH2+]CCOC1 ZINC000925505173 648439773 /nfs/dbraw/zinc/43/97/73/648439773.db2.gz RNEXFSDQLJDPQX-HNNXBMFYSA-N 1 0 291.395 0.601 20 10 CCCDRO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)cc1O ZINC001231633848 805822163 /nfs/dbraw/zinc/82/21/63/805822163.db2.gz AJRLIWTXPPSUPK-OKILXGFUSA-N 1 0 283.324 0.952 20 10 CCCDRO CN(C)C(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232839806 805985398 /nfs/dbraw/zinc/98/53/98/805985398.db2.gz VYPFXCKTZIBLCN-UHFFFAOYSA-N 1 0 265.357 0.978 20 10 CCCDRO Oc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc(O)c1O ZINC001233012166 806006167 /nfs/dbraw/zinc/00/61/67/806006167.db2.gz FGYSPRLSSZWLON-AOOOYVTPSA-N 1 0 251.282 0.882 20 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RUTZMOYPLXDTOO-IUCAKERBSA-N 1 0 252.314 0.986 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1OC ZINC001236750731 806606806 /nfs/dbraw/zinc/60/68/06/806606806.db2.gz XZMHRGWQLPUUHS-ZWNOBZJWSA-N 1 0 297.351 0.585 20 10 CCCDRO COc1cc(C[N@H+](C)C[C@@H](O)CO)c(O)c(OC)c1 ZINC001237672735 806708648 /nfs/dbraw/zinc/70/86/48/806708648.db2.gz IOSZRFDGVGMRMF-SNVBAGLBSA-N 1 0 271.313 0.194 20 10 CCCDRO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237668313 806708823 /nfs/dbraw/zinc/70/88/23/806708823.db2.gz BZXAHCRLOXPFMV-PWSUYJOCSA-N 1 0 283.324 0.194 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001121849078 799076646 /nfs/dbraw/zinc/07/66/46/799076646.db2.gz VYTWUGISUSNPPM-HNNXBMFYSA-N 1 0 278.352 0.855 20 10 CCCDRO Nc1ccc(CC(=O)N2CCC[C@@H]([NH2+]CCO)C2)cc1 ZINC001122173333 799161408 /nfs/dbraw/zinc/16/14/08/799161408.db2.gz IQWYPGTXNCVAOA-CQSZACIVSA-N 1 0 277.368 0.384 20 10 CCCDRO C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@H](O)CO ZINC001237938697 806736771 /nfs/dbraw/zinc/73/67/71/806736771.db2.gz NKEBBWVSCPYKKW-QMMMGPOBSA-N 1 0 263.696 0.970 20 10 CCCDRO CN1CCCc2cc(C[NH+]3CC(C(N)=O)C3)ccc21 ZINC001138356675 799723382 /nfs/dbraw/zinc/72/33/82/799723382.db2.gz VEWQJNVVLUXNOK-UHFFFAOYSA-N 1 0 259.353 0.986 20 10 CCCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC001140182303 799886728 /nfs/dbraw/zinc/88/67/28/799886728.db2.gz OIYCRLYPVWXFEL-LBPRGKRZSA-N 1 0 264.325 0.695 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H](O)CO ZINC001140283895 799901645 /nfs/dbraw/zinc/90/16/45/799901645.db2.gz FVPUXTOATNEBTM-MRXNPFEDSA-N 1 0 294.395 0.433 20 10 CCCDRO [O-]c1c(F)cccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841028870 800065110 /nfs/dbraw/zinc/06/51/10/800065110.db2.gz JNLPSFKFEWNUTB-UHFFFAOYSA-N 1 0 267.348 0.916 20 10 CCCDRO COc1c(F)cc(N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC001163836902 802622684 /nfs/dbraw/zinc/62/26/84/802622684.db2.gz LCBXEWNZAMIVAM-UHFFFAOYSA-N 1 0 273.264 0.500 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc2c(c1)[C@H](O)CCO2 ZINC001163836979 802622919 /nfs/dbraw/zinc/62/29/19/802622919.db2.gz PJBGFSZFWPZMNT-GFCCVEGCSA-N 1 0 252.314 0.260 20 10 CCCDRO COc1cccc(C[N@@H+]2CCOC[C@](C)(O)C2)c1O ZINC001203589753 803035187 /nfs/dbraw/zinc/03/51/87/803035187.db2.gz NGDTXMUHJCUZMI-CQSZACIVSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001203621539 803038064 /nfs/dbraw/zinc/03/80/64/803038064.db2.gz WZOJPKCVEKDGOP-CABCVRRESA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001203621568 803039121 /nfs/dbraw/zinc/03/91/21/803039121.db2.gz XLTRVBQNPXOROP-GXFFZTMASA-N 1 0 253.298 0.186 20 10 CCCDRO COc1ccc(O)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001203670604 803041463 /nfs/dbraw/zinc/04/14/63/803041463.db2.gz UPCVKTQJCWKVOE-ZWNOBZJWSA-N 1 0 253.298 0.186 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875929 803050894 /nfs/dbraw/zinc/05/08/94/803050894.db2.gz ZEFUGLFSJBTAFA-QWRGUYRKSA-N 1 0 253.298 0.273 20 10 CCCDRO COCCN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204273596 803075297 /nfs/dbraw/zinc/07/52/97/803075297.db2.gz RYQFLZFMKXGIER-UHFFFAOYSA-N 1 0 266.341 0.862 20 10 CCCDRO COc1cc(CN2CC[C@@H](CO)[C@@H](O)C2)cc(O)c1O ZINC001204344178 803080081 /nfs/dbraw/zinc/08/00/81/803080081.db2.gz VSTUXQLJBZLELW-JQWIXIFHSA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(CN2CCOC[C@@H]2C[NH+](C)C)cc(O)c1O ZINC001204346533 803080669 /nfs/dbraw/zinc/08/06/69/803080669.db2.gz UFRCTVBREVZQND-LBPRGKRZSA-N 1 0 296.367 0.869 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001205000845 803113161 /nfs/dbraw/zinc/11/31/61/803113161.db2.gz LDRAILWFEVYSGF-UHFFFAOYSA-N 1 0 264.325 0.641 20 10 CCCDRO Cc1cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)ccc1N(C)C ZINC001206092667 803205829 /nfs/dbraw/zinc/20/58/29/803205829.db2.gz ROEXZWZRCIYRFG-UKRRQHHQSA-N 1 0 263.385 0.955 20 10 CCCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001206444684 803243034 /nfs/dbraw/zinc/24/30/34/803243034.db2.gz KGZQEDFHUWZHFG-IUCAKERBSA-N 1 0 256.277 0.675 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001206535271 803263065 /nfs/dbraw/zinc/26/30/65/803263065.db2.gz HOROBYMOQOSZHV-UFBFGSQYSA-N 1 0 274.723 0.936 20 10 CCCDRO C[C@@H](C[NH3+])C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115922 804504488 /nfs/dbraw/zinc/50/44/88/804504488.db2.gz WEFAQJAXEGHXOS-ZETCQYMHSA-N 1 0 254.286 0.057 20 10 CCCDRO C[C@H](C[N+](C)(C)C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226467591 805235999 /nfs/dbraw/zinc/23/59/99/805235999.db2.gz HZOGYRPGGTZJQL-ZCFIWIBFSA-O 1 0 274.293 0.688 20 10 CCCDRO Oc1ccc([C@@H](O)CN[C@H]2CCC[NH2+]C2)cc1O ZINC001246074844 807142516 /nfs/dbraw/zinc/14/25/16/807142516.db2.gz QYTDFHCQLHGNPA-GWCFXTLKSA-N 1 0 252.314 0.473 20 10 CCCDRO CC(C)OC[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252695402 807944233 /nfs/dbraw/zinc/94/42/33/807944233.db2.gz FQNZQDHVASQJNO-LLVKDONJSA-N 1 0 283.324 0.656 20 10 CCCDRO Nc1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001262603940 809372275 /nfs/dbraw/zinc/37/22/75/809372275.db2.gz ZZPIKJDVDNLJCG-CYBMUJFWSA-N 1 0 278.356 0.135 20 10 CCCDRO C[NH+](C)C1(C(=O)NCc2cccc(O)c2O)CC1 ZINC001263894745 809602066 /nfs/dbraw/zinc/60/20/66/809602066.db2.gz UEDBMWLMWFIIEX-UHFFFAOYSA-N 1 0 250.298 0.808 20 10 CCCDRO OC[C@H]1C[C@@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483161 816324490 /nfs/dbraw/zinc/32/44/90/816324490.db2.gz PJWBCMUKSOZJRH-WCBMZHEXSA-N 1 0 271.288 0.956 20 10 CCCDRO COc1ccc(O)c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000822304675 821477999 /nfs/dbraw/zinc/47/79/99/821477999.db2.gz SRNZSXYQFLCODI-ABAIWWIYSA-N 1 0 294.351 0.472 20 10 CCCDRO CC(=O)N1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001169499808 836306073 /nfs/dbraw/zinc/30/60/73/836306073.db2.gz DOWCZPWNXODGNK-LBPRGKRZSA-N 1 0 264.325 0.851 20 10 CCCDRO CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001169563959 836355279 /nfs/dbraw/zinc/35/52/79/836355279.db2.gz AJKQFKOBCPSPQW-IUODEOHRSA-N 1 0 294.351 0.732 20 10 CCCDRO NC(=O)NC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499470 840065293 /nfs/dbraw/zinc/06/52/93/840065293.db2.gz GUMMMDMRWALLOM-UHFFFAOYSA-N 1 0 281.312 0.436 20 10 CCCDRO OCCCN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504497 840068979 /nfs/dbraw/zinc/06/89/79/840068979.db2.gz RYDDVCPMRIIZJF-UHFFFAOYSA-N 1 0 282.340 0.303 20 10 CCCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144503718 840069051 /nfs/dbraw/zinc/06/90/51/840069051.db2.gz AWCMZHIYHGZUMB-AWEZNQCLSA-N 1 0 278.308 0.515 20 10 CCCDRO Oc1cc(O)c(CN2CCn3nncc3C2)c(O)c1 ZINC001144515434 840074634 /nfs/dbraw/zinc/07/46/34/840074634.db2.gz OORWXXRBQZSYHF-UHFFFAOYSA-N 1 0 262.269 0.411 20 10 CCCDRO O=C1OC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CCN12 ZINC001144514817 840075413 /nfs/dbraw/zinc/07/54/13/840075413.db2.gz TUZPWNLUUIOLAG-MRVPVSSYSA-N 1 0 280.280 0.440 20 10 CCCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)cc1O ZINC001275950343 848872603 /nfs/dbraw/zinc/87/26/03/848872603.db2.gz SFOQEDDECUTUNM-TXEJJXNPSA-N 1 0 264.325 0.613 20 10 CCCDRO CS(=O)(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000037740661 849242078 /nfs/dbraw/zinc/24/20/78/849242078.db2.gz ZSXVNALKKALCTE-UHFFFAOYSA-N 1 0 298.408 0.657 20 10 CCCDRO CO[C@]1(C[NH2+]Cc2cc(C)ccc2O)CCS(=O)(=O)C1 ZINC000721218028 849644165 /nfs/dbraw/zinc/64/41/65/849644165.db2.gz CKQZYLUICGQNML-AWEZNQCLSA-N 1 0 299.392 0.994 20 10 CCCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001325426229 913400362 /nfs/dbraw/zinc/40/03/62/913400362.db2.gz DGAZWQPIFFCKLM-GFCCVEGCSA-N 1 0 293.367 0.450 20 10 CCCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001295417446 906717045 /nfs/dbraw/zinc/71/70/45/906717045.db2.gz AKFUVQYRCHLNJB-AWEZNQCLSA-N 1 0 282.340 0.069 20 10 CCCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331636865 917467146 /nfs/dbraw/zinc/46/71/46/917467146.db2.gz GQXVMNFLVQZNLS-UWVGGRQHSA-N 1 0 291.351 0.476 20 10 CCCDRO Nc1ccc(CC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC001332983109 918576901 /nfs/dbraw/zinc/57/69/01/918576901.db2.gz WEQVLKFXOATZAS-UHFFFAOYSA-N 1 0 263.341 0.435 20 10 CCCDRO [NH3+]CCN1CCC[C@H](C(=O)NCc2ccccc2O)C1=O ZINC001341815704 922685567 /nfs/dbraw/zinc/68/55/67/922685567.db2.gz SEQCCZCLIMHAFY-GFCCVEGCSA-N 1 0 291.351 0.206 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001357497859 926550736 /nfs/dbraw/zinc/55/07/36/926550736.db2.gz GLKMXWMZAIFUKB-RULNRJAQSA-N 1 0 296.367 0.794 20 10 CCCDRO C[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000111235138 349768107 /nfs/dbraw/zinc/76/81/07/349768107.db2.gz VDNRQAJEBKXESV-UHFFFAOYSA-N 1 0 263.297 0.376 20 10 CCCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)N(C)C ZINC000042879800 348299837 /nfs/dbraw/zinc/29/98/37/348299837.db2.gz WQWHWTUMGQEKTB-QMMMGPOBSA-N 1 0 266.297 0.687 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000188547083 351605825 /nfs/dbraw/zinc/60/58/25/351605825.db2.gz AZGSNVYQFSFYIO-UHFFFAOYSA-N 1 0 262.306 0.170 20 10 CCCDRO COC[C@@H](O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224933532 351999371 /nfs/dbraw/zinc/99/93/71/351999371.db2.gz JMSDFUCULIBWKP-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO C[C@@H](C[NH+](C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000295267640 353891998 /nfs/dbraw/zinc/89/19/98/353891998.db2.gz DPPOXDWFRZTXAN-ZETCQYMHSA-N 1 0 256.277 0.917 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296305847 353940718 /nfs/dbraw/zinc/94/07/18/353940718.db2.gz DVDWLYPFFYJMRN-SNVBAGLBSA-N 1 0 270.354 0.518 20 10 CCCDRO COc1cccc(C[N@H+](CCO)CCCO)c1O ZINC000093324064 260515564 /nfs/dbraw/zinc/51/55/64/260515564.db2.gz RIYMMDZCWSBUQS-UHFFFAOYSA-N 1 0 255.314 0.578 20 10 CCCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292686153 388954199 /nfs/dbraw/zinc/95/41/99/388954199.db2.gz AZPXVNQEDJQXMU-GFCCVEGCSA-N 1 0 284.381 0.858 20 10 CCCDRO Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1O ZINC000083410849 389002922 /nfs/dbraw/zinc/00/29/22/389002922.db2.gz LUPQNISXRDJZEM-LLVKDONJSA-N 1 0 255.339 0.977 20 10 CCCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000178711052 389616855 /nfs/dbraw/zinc/61/68/55/389616855.db2.gz VQJHBPOXTBKRRB-HNNXBMFYSA-N 1 0 289.379 0.891 20 10 CCCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)CN1CCOCC1 ZINC000180184714 389667112 /nfs/dbraw/zinc/66/71/12/389667112.db2.gz JAQJRJXXBSHYGN-AWEZNQCLSA-N 1 0 298.358 0.656 20 10 CCCDRO CNC(=O)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000272907204 263009857 /nfs/dbraw/zinc/00/98/57/263009857.db2.gz KUHJLTKCCACMJH-CYBMUJFWSA-N 1 0 294.307 0.068 20 10 CCCDRO NS(=O)(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000369045355 267219265 /nfs/dbraw/zinc/21/92/65/267219265.db2.gz HHGVSCWLLJLSMC-UHFFFAOYSA-N 1 0 288.344 0.784 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCOC2)cc1OC ZINC000271805754 328197289 /nfs/dbraw/zinc/19/72/89/328197289.db2.gz JSTDXETZDIIWTR-CQSZACIVSA-N 1 0 283.324 0.650 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091301326 327102078 /nfs/dbraw/zinc/10/20/78/327102078.db2.gz CNRGPJQFTAIMEU-GFCCVEGCSA-N 1 0 264.325 0.729 20 10 CCCDRO CN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C1=O ZINC000265728467 523185599 /nfs/dbraw/zinc/18/55/99/523185599.db2.gz PSIPWTXOLRXEDS-SNVBAGLBSA-N 1 0 278.308 0.783 20 10 CCCDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000280243146 527579398 /nfs/dbraw/zinc/57/93/98/527579398.db2.gz IGYFSNOWBVVGQV-CMPLNLGQSA-N 1 0 295.335 0.856 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1COCCO1 ZINC000725846891 581150126 /nfs/dbraw/zinc/15/01/26/581150126.db2.gz QMZSYBSFXWDRGW-SNVBAGLBSA-N 1 0 253.298 0.906 20 10 CCCDRO NC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000792174416 581250980 /nfs/dbraw/zinc/25/09/80/581250980.db2.gz VLCQPBSLIAKJDO-UHFFFAOYSA-N 1 0 293.342 0.770 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)NCc1ccccc1O ZINC000788018804 581361935 /nfs/dbraw/zinc/36/19/35/581361935.db2.gz SNGQTWKTRUBVAR-UHFFFAOYSA-N 1 0 281.356 0.770 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785984522 581425972 /nfs/dbraw/zinc/42/59/72/581425972.db2.gz IFIMFZLDWFVSPF-JTQLQIEISA-N 1 0 286.353 0.264 20 10 CCCDRO COc1cccc(O)c1C[N@H+](CCO)CCCO ZINC000769387845 581686133 /nfs/dbraw/zinc/68/61/33/581686133.db2.gz BXNNTBWRNYHWHL-UHFFFAOYSA-N 1 0 255.314 0.578 20 10 CCCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CN(C)CCO1 ZINC000770107412 581730693 /nfs/dbraw/zinc/73/06/93/581730693.db2.gz KGIOTLFKCKFLQL-FZMZJTMJSA-N 1 0 293.367 0.911 20 10 CCCDRO COc1ccc(C[N@H+](C)CCOCCO)c(O)c1OC ZINC000894263044 617248050 /nfs/dbraw/zinc/24/80/50/617248050.db2.gz AFHUTPHEFHKQPK-UHFFFAOYSA-N 1 0 285.340 0.850 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(O)c1OC ZINC000893683031 617252046 /nfs/dbraw/zinc/25/20/46/617252046.db2.gz WQYZOSDXMVOOFS-WDEREUQCSA-N 1 0 283.324 0.337 20 10 CCCDRO COc1ccc(CNC(=O)CCOC2C[NH2+]C2)c(O)c1 ZINC000832178888 617253068 /nfs/dbraw/zinc/25/30/68/617253068.db2.gz ZEJUFIGUPPNOHF-UHFFFAOYSA-N 1 0 280.324 0.396 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2OC)c(O)c1OC ZINC000894867720 617260304 /nfs/dbraw/zinc/26/03/04/617260304.db2.gz XLYSENNVDIZHLB-CMPLNLGQSA-N 1 0 283.324 0.913 20 10 CCCDRO COc1cccc(CN2CCC[C@]([NH3+])(CO)C2)c1O ZINC000904402906 617297129 /nfs/dbraw/zinc/29/71/29/617297129.db2.gz WFHFLJJZLATMNO-CQSZACIVSA-N 1 0 266.341 0.686 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000779214829 617305389 /nfs/dbraw/zinc/30/53/89/617305389.db2.gz UZIMQKKTYVVYPP-GFCCVEGCSA-N 1 0 280.368 0.899 20 10 CCCDRO CN(C)c1ccc(C[N@H+](CCO)CCOCCO)cc1 ZINC000839194329 616013924 /nfs/dbraw/zinc/01/39/24/616013924.db2.gz LIBJHEUIQBEQSZ-UHFFFAOYSA-N 1 0 282.384 0.556 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc1 ZINC000905024093 616016098 /nfs/dbraw/zinc/01/60/98/616016098.db2.gz IBMUGGDOURQITA-OAHLLOKOSA-N 1 0 294.395 0.745 20 10 CCCDRO CN(CCOCC[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000861639127 616115463 /nfs/dbraw/zinc/11/54/63/616115463.db2.gz AHACGIIZGCPPRZ-UHFFFAOYSA-N 1 0 280.372 0.428 20 10 CCCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910945972 616266650 /nfs/dbraw/zinc/26/66/50/616266650.db2.gz GMIVQTAOWYGCPP-SNVBAGLBSA-N 1 0 250.298 0.666 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910942379 616476937 /nfs/dbraw/zinc/47/69/37/616476937.db2.gz CGIBGSPZARASAY-RISCZKNCSA-N 1 0 280.324 0.169 20 10 CCCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000826967548 616498313 /nfs/dbraw/zinc/49/83/13/616498313.db2.gz WMQBGGHEKFQVBK-CMPLNLGQSA-N 1 0 251.282 0.812 20 10 CCCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(N)cc2)C1 ZINC000876528003 616781105 /nfs/dbraw/zinc/78/11/05/616781105.db2.gz ODPUFMUXBPPSME-DZGCQCFKSA-N 1 0 277.368 0.695 20 10 CCCDRO COC(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274101 616866774 /nfs/dbraw/zinc/86/67/74/616866774.db2.gz SINWZMNWGOVDLG-LBPRGKRZSA-N 1 0 294.355 0.225 20 10 CCCDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894972536 616886831 /nfs/dbraw/zinc/88/68/31/616886831.db2.gz CIXZKSOOBPRWGY-NSHDSACASA-N 1 0 294.351 0.977 20 10 CCCDRO C[NH2+]CCOCCNC(=O)NCc1ccc(OC)cc1O ZINC000861675398 616967186 /nfs/dbraw/zinc/96/71/86/616967186.db2.gz CZEBYYNXCZWMKI-UHFFFAOYSA-N 1 0 297.355 0.436 20 10 CCCDRO COCC[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000891912803 617018215 /nfs/dbraw/zinc/01/82/15/617018215.db2.gz LLIQFELSHZYMIV-UHFFFAOYSA-N 1 0 285.340 0.850 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922036484 617021625 /nfs/dbraw/zinc/02/16/25/617021625.db2.gz QMDLRQGALBTGOZ-UHFFFAOYSA-N 1 0 284.381 0.650 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846163051 617022138 /nfs/dbraw/zinc/02/21/38/617022138.db2.gz DQOOQGHIVLJWMG-SECBINFHSA-N 1 0 288.369 0.601 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)c1ccccc1O ZINC000870988419 617164723 /nfs/dbraw/zinc/16/47/23/617164723.db2.gz OWGKKSKQPCSHHE-VHSXEESVSA-N 1 0 252.314 0.933 20 10 CCCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000069141786 624691473 /nfs/dbraw/zinc/69/14/73/624691473.db2.gz ADPDNSJVXKKZIR-JTQLQIEISA-N 1 0 299.348 0.788 20 10 CCCDRO C[C@@H]1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCS1(=O)=O ZINC000313217039 625756998 /nfs/dbraw/zinc/75/69/98/625756998.db2.gz QHEWEOAVFDBTRG-PSASIEDQSA-N 1 0 299.348 0.786 20 10 CCCDRO COc1ccc(O)c(CN2C[C@H](C)O[C@H](CO)C2)c1 ZINC000248946750 631537496 /nfs/dbraw/zinc/53/74/96/631537496.db2.gz DMAVJXKXBSLYFF-GWCFXTLKSA-N 1 0 267.325 0.982 20 10 CCCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000895325142 632055544 /nfs/dbraw/zinc/05/55/44/632055544.db2.gz OHIILADZODZBDI-ZANVPECISA-N 1 0 273.279 0.988 20 10 CCCDRO Nc1ccc(CCNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000841945254 632764086 /nfs/dbraw/zinc/76/40/86/632764086.db2.gz CCRZFSWZWWPREE-CYBMUJFWSA-N 1 0 262.357 0.848 20 10 CCCDRO [NH3+][C@H](CNCc1cc2c(cc1O)OCO2)C1CC1 ZINC000841049271 633529215 /nfs/dbraw/zinc/52/92/15/633529215.db2.gz ISBTUHQAAKFPMX-SNVBAGLBSA-N 1 0 250.298 0.948 20 10 CCCDRO O=C(C[NH+]1CCCC1)NCc1ccc(O)cc1O ZINC000910950264 635858385 /nfs/dbraw/zinc/85/83/85/635858385.db2.gz UVNMBJXLLNPWJD-UHFFFAOYSA-N 1 0 250.298 0.810 20 10 CCCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCOCC1 ZINC000062801556 637182783 /nfs/dbraw/zinc/18/27/83/637182783.db2.gz QGBWSCIBAFALQM-UHFFFAOYSA-N 1 0 289.379 0.757 20 10 CCCDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922308540 639645853 /nfs/dbraw/zinc/64/58/53/639645853.db2.gz DLQPJRPXJFOLMK-GWCFXTLKSA-N 1 0 251.326 0.843 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000839165391 640303765 /nfs/dbraw/zinc/30/37/65/640303765.db2.gz IXGNKQIQSKVQMS-QPUJVOFHSA-N 1 0 257.717 0.831 20 10 CCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953613 641369240 /nfs/dbraw/zinc/36/92/40/641369240.db2.gz LBJXOMXSCJOXEH-UHFFFAOYSA-N 1 0 290.367 0.961 20 10 CCCDRO OCC1(CO)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000827475376 642008480 /nfs/dbraw/zinc/00/84/80/642008480.db2.gz ZJDJBZDCIXMDHV-UHFFFAOYSA-N 1 0 255.289 0.708 20 10 CCCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098501 642803459 /nfs/dbraw/zinc/80/34/59/642803459.db2.gz HCHFDLDQBIZTKQ-INIZCTEOSA-N 1 0 291.395 0.601 20 10 CCCDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000841942178 642857985 /nfs/dbraw/zinc/85/79/85/642857985.db2.gz VYNSQUKYAOTJME-ZDUSSCGKSA-N 1 0 262.357 0.863 20 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CCCDRO Nc1ccc(CCNC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000876528288 646619856 /nfs/dbraw/zinc/61/98/56/646619856.db2.gz NXWLNKQVCIWGSO-HNNXBMFYSA-N 1 0 277.368 0.683 20 10 CCCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000883190952 647498258 /nfs/dbraw/zinc/49/82/58/647498258.db2.gz OSYBRAFVDIDDOF-LLVKDONJSA-N 1 0 272.295 0.827 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC000089755955 649662780 /nfs/dbraw/zinc/66/27/80/649662780.db2.gz WWYFRDWDGPJELN-KWQFWETISA-N 1 0 278.308 0.857 20 10 CCCDRO CN(C)c1ccc(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001232834946 805986294 /nfs/dbraw/zinc/98/62/94/805986294.db2.gz RJYDWDSMQMOFDD-UHFFFAOYSA-N 1 0 291.395 0.975 20 10 CCCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CCO1 ZINC001233010848 806004396 /nfs/dbraw/zinc/00/43/96/806004396.db2.gz VSXIQNIHWDWSDZ-LLVKDONJSA-N 1 0 282.340 0.566 20 10 CCCDRO Oc1cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc(O)c1O ZINC001233012099 806006402 /nfs/dbraw/zinc/00/64/02/806006402.db2.gz DWOXCZZTQSBQPC-LLVKDONJSA-N 1 0 295.335 0.919 20 10 CCCDRO CCOc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234987148 806329478 /nfs/dbraw/zinc/32/94/78/806329478.db2.gz DLIHYIHALYXPPJ-INIZCTEOSA-N 1 0 291.395 0.928 20 10 CCCDRO CN(C)c1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234991836 806338494 /nfs/dbraw/zinc/33/84/94/806338494.db2.gz QCYQGXVESXTPHI-MRXNPFEDSA-N 1 0 290.411 0.596 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1[NH3+] ZINC001236345160 806575088 /nfs/dbraw/zinc/57/50/88/806575088.db2.gz CZSPQFHEVPRDHD-ZIAGYGMSSA-N 1 0 291.395 0.993 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001236807647 806611961 /nfs/dbraw/zinc/61/19/61/806611961.db2.gz HLGHGPBHANVWBH-YGRLFVJLSA-N 1 0 267.325 0.494 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237049491 806634481 /nfs/dbraw/zinc/63/44/81/806634481.db2.gz GVNMQZULJNVPNI-TZMCWYRMSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1cc(CN2CC(NC(C)=O)C2)c(O)c(OC)c1 ZINC001237676022 806708581 /nfs/dbraw/zinc/70/85/81/806708581.db2.gz JCUNFFDDWXFYEX-UHFFFAOYSA-N 1 0 280.324 0.730 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)c(O)c1 ZINC001122065038 799134212 /nfs/dbraw/zinc/13/42/12/799134212.db2.gz JYJOUVJDZFOLSC-QMTHXVAHSA-N 1 0 280.324 0.130 20 10 CCCDRO COc1cc(CN2CC(=O)C2)cc(C[NH+](C)C)c1O ZINC001139257047 799800446 /nfs/dbraw/zinc/80/04/46/799800446.db2.gz PTQFMNGJTYYXGX-UHFFFAOYSA-N 1 0 264.325 0.847 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(OC)c1 ZINC001141031576 799974110 /nfs/dbraw/zinc/97/41/10/799974110.db2.gz IDEUAXBPVWJLIS-HZMBPMFUSA-N 1 0 297.351 0.585 20 10 CCCDRO OC[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156022 799984298 /nfs/dbraw/zinc/98/42/98/799984298.db2.gz CXYZDQPQPMVLIC-ZANVPECISA-N 1 0 253.298 0.273 20 10 CCCDRO C[C@]1(O)COCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156730 799985405 /nfs/dbraw/zinc/98/54/05/799985405.db2.gz SFTUDRVHHVVVKI-CYBMUJFWSA-N 1 0 253.298 0.681 20 10 CCCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162737 799986989 /nfs/dbraw/zinc/98/69/89/799986989.db2.gz BNSKMBAOJMLANS-NSHDSACASA-N 1 0 279.340 0.991 20 10 CCCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161969 799987361 /nfs/dbraw/zinc/98/73/61/799987361.db2.gz IPXBCGWRXNZPSL-NSHDSACASA-N 1 0 250.298 0.808 20 10 CCCDRO O=C(N[C@H]1CC[NH2+]C1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155233446 800936427 /nfs/dbraw/zinc/93/64/27/800936427.db2.gz BCEPFQFLWLZVGM-QMMMGPOBSA-N 1 0 290.275 0.296 20 10 CCCDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925118 802047960 /nfs/dbraw/zinc/04/79/60/802047960.db2.gz UWPGMDVNDQKAPK-JYAVWHMHSA-N 1 0 288.347 0.838 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001203590497 803036205 /nfs/dbraw/zinc/03/62/05/803036205.db2.gz ZVMXNCXETXZQKO-MNOVXSKESA-N 1 0 253.298 0.186 20 10 CCCDRO [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001205688460 803155977 /nfs/dbraw/zinc/15/59/77/803155977.db2.gz HXOWPSMFIJPSMG-OAHLLOKOSA-N 1 0 294.351 0.766 20 10 CCCDRO Cc1cccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000400281240 803767094 /nfs/dbraw/zinc/76/70/94/803767094.db2.gz RKHRLVDWNCJTTO-GFCCVEGCSA-N 1 0 284.381 0.824 20 10 CCCDRO O=C1CCCN1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000405375677 803882012 /nfs/dbraw/zinc/88/20/12/803882012.db2.gz SVTSKQJAAMLKAT-UHFFFAOYSA-N 1 0 278.308 0.833 20 10 CCCDRO Nc1ccc(CC(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220936043 804703332 /nfs/dbraw/zinc/70/33/32/804703332.db2.gz BUQRGAWZVAXURU-ZDUSSCGKSA-N 1 0 263.341 0.306 20 10 CCCDRO Oc1cc(O)c(CCN[C@H]2CCC[NH2+]C2)cc1O ZINC001246211534 807188207 /nfs/dbraw/zinc/18/82/07/807188207.db2.gz KNBSKMXOHNGLIR-JTQLQIEISA-N 1 0 252.314 0.688 20 10 CCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)CN1 ZINC001246239541 807194945 /nfs/dbraw/zinc/19/49/45/807194945.db2.gz JQCDSWVADNIQRJ-PWSUYJOCSA-N 1 0 280.324 0.481 20 10 CCCDRO C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1O ZINC001251036294 807650811 /nfs/dbraw/zinc/65/08/11/807650811.db2.gz FGXSCYCHPGGTHY-STQMWFEESA-N 1 0 280.368 0.736 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCN2C)cc1F ZINC001263097963 809441915 /nfs/dbraw/zinc/44/19/15/809441915.db2.gz NZYMVQPDGUKBMD-AWEZNQCLSA-N 1 0 294.374 0.412 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[NH2+]CCN2C)cc1 ZINC001263111260 809450873 /nfs/dbraw/zinc/45/08/73/809450873.db2.gz YANFVXPYXTUGCQ-HNNXBMFYSA-N 1 0 290.411 0.615 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(O)cc2O)C[C@@H]1[NH3+] ZINC001236346873 817273941 /nfs/dbraw/zinc/27/39/41/817273941.db2.gz VOQMOGLBGQXSNV-QWRGUYRKSA-N 1 0 266.297 0.030 20 10 CCCDRO C[C@@H](C(=O)NC(N)=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000700970208 818877715 /nfs/dbraw/zinc/87/77/15/818877715.db2.gz WBBUXQRIPARVNE-VIFPVBQESA-N 1 0 276.340 0.481 20 10 CCCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(O)cc1O ZINC000827627158 821685933 /nfs/dbraw/zinc/68/59/33/821685933.db2.gz KHDDXQLTIZFGGR-NSHDSACASA-N 1 0 294.351 0.682 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c1 ZINC001183445760 844022250 /nfs/dbraw/zinc/02/22/50/844022250.db2.gz SYUPHECXTJCEDD-TXEJJXNPSA-N 1 0 281.352 0.742 20 10 CCCDRO CN1CCc2ncnc(N(CC[NH3+])c3cccnc3)c2C1 ZINC001168834003 836017498 /nfs/dbraw/zinc/01/74/98/836017498.db2.gz BUVRIHUYSACXID-UHFFFAOYSA-N 1 0 284.367 0.956 20 10 CCCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001169511157 836315860 /nfs/dbraw/zinc/31/58/60/836315860.db2.gz UKWYEPHEVXLROP-LLVKDONJSA-N 1 0 250.298 0.808 20 10 CCCDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001185258468 844384600 /nfs/dbraw/zinc/38/46/00/844384600.db2.gz SXOQEPPUAXLLMI-CQSZACIVSA-N 1 0 289.379 0.523 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O ZINC001144504556 840068795 /nfs/dbraw/zinc/06/87/95/840068795.db2.gz UYKFCBSRUCLBND-ZIAGYGMSSA-N 1 0 283.324 0.369 20 10 CCCDRO CC(C)(O)CN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144519943 840070580 /nfs/dbraw/zinc/07/05/80/840070580.db2.gz FGGVDAOHBVZHTB-UHFFFAOYSA-N 1 0 296.367 0.692 20 10 CCCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509263 840073344 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293.367 0.482 20 10 CCCDRO C[NH+](C)CC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC001349673347 925022531 /nfs/dbraw/zinc/02/25/31/925022531.db2.gz DVBLTJHIPZNSON-CYBMUJFWSA-N 1 0 264.373 0.207 20 10 CCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])CO ZINC001353679064 925902285 /nfs/dbraw/zinc/90/22/85/925902285.db2.gz UFPUFLJAAHPAMS-CQSZACIVSA-N 1 0 279.384 0.809 20 10 CCCDRO Nc1ccc(CC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC001354770690 926162352 /nfs/dbraw/zinc/16/23/52/926162352.db2.gz APWNWOFGEJNQJE-UHFFFAOYSA-N 1 0 276.384 0.351 20 10 CCCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001357547952 926560590 /nfs/dbraw/zinc/56/05/90/926560590.db2.gz XZCGNXSQYSZRQK-PWSUYJOCSA-N 1 0 262.357 0.924 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000020086656 348076933 /nfs/dbraw/zinc/07/69/33/348076933.db2.gz LDCZJTAVCMTTPL-SNVBAGLBSA-N 1 0 271.338 0.678 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187666125 351551003 /nfs/dbraw/zinc/55/10/03/351551003.db2.gz 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PFJNSWDHAISEJV-ABCZVMIZSA-N 1 0 289.379 0.952 20 10 CCCDRO CN(C)c1ccc(CN(CC[NH3+])CCO)cc1F ZINC000841060007 616013739 /nfs/dbraw/zinc/01/37/39/616013739.db2.gz ZXZKWKBZLYLSAZ-UHFFFAOYSA-N 1 0 255.337 0.645 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000824893677 616014213 /nfs/dbraw/zinc/01/42/13/616014213.db2.gz YIUCEASZTPHFEU-BETUJISGSA-N 1 0 273.336 0.457 20 10 CCCDRO CN(C)c1ccc([C@H](CNC(=O)CO)[NH+](C)C)cc1 ZINC000891249355 616019544 /nfs/dbraw/zinc/01/95/44/616019544.db2.gz RMJHLSUBMBFXJN-ZDUSSCGKSA-N 1 0 265.357 0.464 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)nn2)cc1 ZINC000832284589 616019658 /nfs/dbraw/zinc/01/96/58/616019658.db2.gz KUXBLBTWEKJMAY-GFCCVEGCSA-N 1 0 288.355 0.311 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(N)nn2)cc1 ZINC000904354020 616019766 /nfs/dbraw/zinc/01/97/66/616019766.db2.gz UGNZBNCCVIIVNW-CQSZACIVSA-N 1 0 286.383 0.914 20 10 CCCDRO C[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000109770987 616045938 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C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895328509 632057937 /nfs/dbraw/zinc/05/79/37/632057937.db2.gz GVHNPHKOQLMBFU-YGRLFVJLSA-N 1 0 281.308 0.439 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000896457376 632253393 /nfs/dbraw/zinc/25/33/93/632253393.db2.gz ISDXIQFLTFJIHM-OAHLLOKOSA-N 1 0 280.368 0.483 20 10 CCCDRO Nc1ccc(CCNC(=O)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000911781823 636378176 /nfs/dbraw/zinc/37/81/76/636378176.db2.gz BHAWWWKSUFMYRO-OAHLLOKOSA-N 1 0 277.368 0.432 20 10 CCCDRO COc1ccc(N2CCN(CCO)CC2)c(OC)c1 ZINC000058503538 636957124 /nfs/dbraw/zinc/95/71/24/636957124.db2.gz APFMCQBMPUPGMS-UHFFFAOYSA-N 1 0 266.341 0.818 20 10 CCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226595117 636989251 /nfs/dbraw/zinc/98/92/51/636989251.db2.gz PEKXXBPTMBPAEF-UHFFFAOYSA-N 1 0 276.333 0.560 20 10 CCCDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccccc1O ZINC000228423858 637058167 /nfs/dbraw/zinc/05/81/67/637058167.db2.gz CWHHSZQOGIZNIC-LLVKDONJSA-N 1 0 250.298 0.387 20 10 CCCDRO Cc1ccc(C(=O)NC23CC[NH+](CC2)C3)c(O)c1O ZINC000913632084 637386273 /nfs/dbraw/zinc/38/62/73/637386273.db2.gz OZAXZMYYNFYDJV-UHFFFAOYSA-N 1 0 262.309 0.984 20 10 CCCDRO COc1ccc(N2CCN(CC[NH3+])CC2)cc1F ZINC000082556328 638781902 /nfs/dbraw/zinc/78/19/02/638781902.db2.gz DQWUGZCPSOTMCP-UHFFFAOYSA-N 1 0 253.321 0.915 20 10 CCCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000187198418 640187517 /nfs/dbraw/zinc/18/75/17/640187517.db2.gz GMPMQIBNQZAZIX-JTQLQIEISA-N 1 0 272.370 0.900 20 10 CCCDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078543 642802401 /nfs/dbraw/zinc/80/24/01/642802401.db2.gz UNZCZGAUPIUOBW-ZSHCYNCHSA-N 1 0 273.380 0.831 20 10 CCCDRO C[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842203539 642881998 /nfs/dbraw/zinc/88/19/98/642881998.db2.gz UISDSYCRSVUBTE-JTQLQIEISA-N 1 0 290.367 0.018 20 10 CCCDRO Cn1cnc(CCC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000842736348 642942319 /nfs/dbraw/zinc/94/23/19/642942319.db2.gz BKROSZNOZZCSKU-UHFFFAOYSA-N 1 0 290.323 0.972 20 10 CCCDRO Cc1cc(C[NH2+][C@]2(C(N)=O)CCOC2)ccc1N(C)C ZINC000847053058 643485606 /nfs/dbraw/zinc/48/56/06/643485606.db2.gz IZEQXLCVHSPFAJ-OAHLLOKOSA-N 1 0 277.368 0.795 20 10 CCCDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850343379 643798120 /nfs/dbraw/zinc/79/81/20/643798120.db2.gz NGKYSAXICXLHOO-ZDUSSCGKSA-N 1 0 293.342 0.640 20 10 CCCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868262 644032525 /nfs/dbraw/zinc/03/25/25/644032525.db2.gz BPFXTEMZHXAWET-LSDHHAIUSA-N 1 0 289.379 0.611 20 10 CCCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868573 644033464 /nfs/dbraw/zinc/03/34/64/644033464.db2.gz JXNGPXNIVOKOBK-GFCCVEGCSA-N 1 0 291.395 0.859 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[NH+](CCO)CCO ZINC000862429799 644999426 /nfs/dbraw/zinc/99/94/26/644999426.db2.gz KGYIYUYKSOJSFF-UHFFFAOYSA-N 1 0 252.358 0.848 20 10 CCCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863320078 645079384 /nfs/dbraw/zinc/07/93/84/645079384.db2.gz HDQQBBRFZJLLJD-DTRQGZQOSA-N 1 0 292.335 0.294 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CC(=O)N1CCOCC1 ZINC000877139370 646741367 /nfs/dbraw/zinc/74/13/67/646741367.db2.gz MIBTXNPMLOUKEV-UHFFFAOYSA-N 1 0 264.325 0.649 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(O)c1 ZINC000877168013 646745399 /nfs/dbraw/zinc/74/53/99/646745399.db2.gz NMLQEVFKUUOZNN-NSHDSACASA-N 1 0 275.308 0.437 20 10 CCCDRO COc1cc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)cc1O ZINC001231641047 805823913 /nfs/dbraw/zinc/82/39/13/805823913.db2.gz YCCMQYHFYTUGRB-LLVKDONJSA-N 1 0 264.325 0.996 20 10 CCCDRO COc1cc(C[NH+]2CC(C)(CO)C2)c(O)cc1O ZINC001231635080 805822582 /nfs/dbraw/zinc/82/25/82/805822582.db2.gz VITYMEDGOUWHRZ-UHFFFAOYSA-N 1 0 253.298 0.921 20 10 CCCDRO COc1cc(N(C)C)ccc1CN1CCO[C@H](C(N)=O)C1 ZINC001231855649 805862294 /nfs/dbraw/zinc/86/22/94/805862294.db2.gz XTKYHDADVATOGU-AWEZNQCLSA-N 1 0 293.367 0.447 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001231848146 805863373 /nfs/dbraw/zinc/86/33/73/805863373.db2.gz GXCMQWAHLHZSDN-UKRRQHHQSA-N 1 0 294.395 0.936 20 10 CCCDRO Oc1cc(O)c(CN2CCN(C3COC3)CC2)cc1O ZINC001233482144 806058306 /nfs/dbraw/zinc/05/83/06/806058306.db2.gz BATMRSIFNICTDL-UHFFFAOYSA-N 1 0 280.324 0.320 20 10 CCCDRO COc1cc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)cc1O ZINC001235065310 806367380 /nfs/dbraw/zinc/36/73/80/806367380.db2.gz WHLIKFNNKAUZIY-HNNXBMFYSA-N 1 0 293.367 0.244 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc(C)c1O ZINC001236200783 806554386 /nfs/dbraw/zinc/55/43/86/806554386.db2.gz JMBJVIRROHLHRC-RYUDHWBXSA-N 1 0 264.325 0.775 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1OC ZINC001236298479 806563769 /nfs/dbraw/zinc/56/37/69/806563769.db2.gz UZQJIFFCZZROAE-WDEREUQCSA-N 1 0 264.325 0.813 20 10 CCCDRO CCOc1ccc(CN2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236352914 806583917 /nfs/dbraw/zinc/58/39/17/806583917.db2.gz NJUHMVLUTSEOQV-STQMWFEESA-N 1 0 294.351 0.723 20 10 CCCDRO CNC(=O)CN(C)Cc1cc(OC)cc(OC)c1O ZINC001237674680 806708786 /nfs/dbraw/zinc/70/87/86/806708786.db2.gz LFWDCZYFCWUPKC-UHFFFAOYSA-N 1 0 268.313 0.587 20 10 CCCDRO COc1cc(CN2CC3(C2)CS(=O)C3)c(O)c(OC)c1 ZINC001237670554 806709066 /nfs/dbraw/zinc/70/90/66/806709066.db2.gz SXWMYFFKZTTZIF-UHFFFAOYSA-N 1 0 297.376 0.974 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@@H](O)CO ZINC001140665911 799928576 /nfs/dbraw/zinc/92/85/76/799928576.db2.gz ZFFCZAHAPOSIFZ-CQSZACIVSA-N 1 0 298.358 0.447 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC001140741972 799938392 /nfs/dbraw/zinc/93/83/92/799938392.db2.gz FVRROIUWCFJHNW-JTQLQIEISA-N 1 0 250.298 0.856 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(OC)c1 ZINC001141031580 799973785 /nfs/dbraw/zinc/97/37/85/799973785.db2.gz IDEUAXBPVWJLIS-YGRLFVJLSA-N 1 0 297.351 0.585 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CCOC[C@@H](O)C3)ccc21 ZINC001141139956 799983041 /nfs/dbraw/zinc/98/30/41/799983041.db2.gz FYRLLDUNXJBQDX-ZDUSSCGKSA-N 1 0 278.352 0.708 20 10 CCCDRO C[NH+](C)C[C@H]1CN(Cc2cc(O)ccc2O)CCO1 ZINC001141156903 799985255 /nfs/dbraw/zinc/98/52/55/799985255.db2.gz XDHWHHKHFJXRFD-ZDUSSCGKSA-N 1 0 266.341 0.860 20 10 CCCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCCO)cc1 ZINC001153037847 800585773 /nfs/dbraw/zinc/58/57/73/800585773.db2.gz WFBRHMGHCKXBKK-UHFFFAOYSA-N 1 0 293.327 0.551 20 10 CCCDRO [NH3+][C@H]1CN(C(=O)CCc2ccc(O)c(O)c2)C[C@H]1F ZINC001157539065 801410419 /nfs/dbraw/zinc/41/04/19/801410419.db2.gz YRHNOGUXNRYKCH-ZJUUUORDSA-N 1 0 268.288 0.538 20 10 CCCDRO Nc1ccc(CC(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1 ZINC001161008389 802060145 /nfs/dbraw/zinc/06/01/45/802060145.db2.gz NVFXGSLJZNEWDL-CQSZACIVSA-N 1 0 289.379 0.527 20 10 CCCDRO COc1ccc(CN2CC[NH+](CCCO)CC2)c(O)c1 ZINC001203621686 803038537 /nfs/dbraw/zinc/03/85/37/803038537.db2.gz YUDXIINQPNTCMI-UHFFFAOYSA-N 1 0 280.368 0.901 20 10 CCCDRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001203622065 803039244 /nfs/dbraw/zinc/03/92/44/803039244.db2.gz NEFABYXCPHXGNS-HIFRSBDPSA-N 1 0 278.352 0.916 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC001203669438 803041849 /nfs/dbraw/zinc/04/18/49/803041849.db2.gz CENGFNGBQVXWRQ-QMTHXVAHSA-N 1 0 267.325 0.576 20 10 CCCDRO OCCC[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875551 803049661 /nfs/dbraw/zinc/04/96/61/803049661.db2.gz PRNADNJJAVARLC-UHFFFAOYSA-N 1 0 266.341 0.598 20 10 CCCDRO COc1cc(Cl)cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206102161 803208264 /nfs/dbraw/zinc/20/82/64/803208264.db2.gz QJRDDSIFUCRTRZ-GHMZBOCLSA-N 1 0 286.759 0.948 20 10 CCCDRO COc1cc(N(C)C)ccc1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474933 803250391 /nfs/dbraw/zinc/25/03/91/803250391.db2.gz KDBMOKILXGGJHR-GXTWGEPZSA-N 1 0 279.384 0.513 20 10 CCCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cccc(OC)c1O ZINC000088658169 803484149 /nfs/dbraw/zinc/48/41/49/803484149.db2.gz MPLKVIQNJWIXFQ-GFCCVEGCSA-N 1 0 294.351 0.738 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001220321602 804573269 /nfs/dbraw/zinc/57/32/69/804573269.db2.gz WBYLBVXNAUKKBJ-ZBFHGGJFSA-N 1 0 289.379 0.839 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2N)c(O)c1 ZINC001220825462 804673895 /nfs/dbraw/zinc/67/38/95/804673895.db2.gz IQKAXXUBKFVMTJ-RYUDHWBXSA-N 1 0 263.341 0.172 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@]2(N)CC[NH2+]C2)c(O)c1 ZINC001220825525 804674669 /nfs/dbraw/zinc/67/46/69/804674669.db2.gz KTGSJRKFSORHAG-AWEZNQCLSA-N 1 0 263.341 0.316 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c(O)c1 ZINC001220825439 804674775 /nfs/dbraw/zinc/67/47/75/804674775.db2.gz HRFSPQOZSYAXLX-ZYHUDNBSSA-N 1 0 264.325 0.348 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CCN(C)CC2)c(O)c1 ZINC001249172043 807546174 /nfs/dbraw/zinc/54/61/74/807546174.db2.gz IFAFMASMOUIJGV-UHFFFAOYSA-N 1 0 278.352 0.855 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001249217630 807547381 /nfs/dbraw/zinc/54/73/81/807547381.db2.gz QTKKBMXSSWZNRR-AWEZNQCLSA-N 1 0 290.363 0.998 20 10 CCCDRO Cc1cccc(C[NH2+]C[C@H](O)CN2CCOCC2)c1O ZINC001251046474 807656696 /nfs/dbraw/zinc/65/66/96/807656696.db2.gz QJYQVKHVTJZQPT-AWEZNQCLSA-N 1 0 280.368 0.483 20 10 CCCDRO COC(=O)[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252428474 807843239 /nfs/dbraw/zinc/84/32/39/807843239.db2.gz PTGALZAKAPQSMV-ZDUSSCGKSA-N 1 0 281.308 0.380 20 10 CCCDRO Oc1ccc(CC[NH2+]CC2(O)CCOCC2)cc1O ZINC001252972960 807996426 /nfs/dbraw/zinc/99/64/26/807996426.db2.gz GDDVOXJXHYGQEG-UHFFFAOYSA-N 1 0 267.325 0.771 20 10 CCCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1 ZINC001262603612 809372492 /nfs/dbraw/zinc/37/24/92/809372492.db2.gz OMKBQBMOXRPLHY-AWEZNQCLSA-N 1 0 280.372 0.381 20 10 CCCDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233486195 816324632 /nfs/dbraw/zinc/32/46/32/816324632.db2.gz CHPXBZIJFJCRGT-GXSJLCMTSA-N 1 0 264.325 0.939 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(F)c(F)cc1O ZINC001236200557 817166064 /nfs/dbraw/zinc/16/60/64/817166064.db2.gz SUTBRCKEBBLFKZ-KWQFWETISA-N 1 0 286.278 0.745 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(O)ccc2O)C[C@H]1[NH3+] ZINC001236346632 817274310 /nfs/dbraw/zinc/27/43/10/817274310.db2.gz JGUMIVDWGWHAAC-WDEREUQCSA-N 1 0 266.297 0.030 20 10 CCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[NH2+]1 ZINC000384797127 817976236 /nfs/dbraw/zinc/97/62/36/817976236.db2.gz ZTRDVHNFBGPQCZ-CYBMUJFWSA-N 1 0 293.342 0.640 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1 ZINC000702636131 819154281 /nfs/dbraw/zinc/15/42/81/819154281.db2.gz LWCDOQKHNGBXSM-OAHLLOKOSA-N 1 0 263.385 0.909 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@H]2COCCN2C)c1O ZINC000703960816 819351269 /nfs/dbraw/zinc/35/12/69/819351269.db2.gz ORMOARYMESOXPN-GFCCVEGCSA-N 1 0 266.341 0.821 20 10 CCCDRO CN1CC[NH+](CCC(=O)NCc2ccccc2O)CC1 ZINC000169820199 819920756 /nfs/dbraw/zinc/92/07/56/819920756.db2.gz KQAYGYWQMSCUAN-UHFFFAOYSA-N 1 0 277.368 0.646 20 10 CCCDRO Cc1ccc(C[NH2+]CC(=O)N2CCCO2)c(O)c1 ZINC001184277107 844204168 /nfs/dbraw/zinc/20/41/68/844204168.db2.gz KELKYWNVIDWQIL-UHFFFAOYSA-N 1 0 250.298 0.954 20 10 CCCDRO [NH3+]C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001160519552 839975350 /nfs/dbraw/zinc/97/53/50/839975350.db2.gz OVGBKPCQFWLJAL-UHFFFAOYSA-N 1 0 252.270 0.367 20 10 CCCDRO NC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499873 840067901 /nfs/dbraw/zinc/06/79/01/840067901.db2.gz NDOHNYKMWJUNCQ-QMMMGPOBSA-N 1 0 266.297 0.501 20 10 CCCDRO O=C1CC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CCN12 ZINC001144514545 840074463 /nfs/dbraw/zinc/07/44/63/840074463.db2.gz KGFCIDWZJNJRIE-SECBINFHSA-N 1 0 278.308 0.610 20 10 CCCDRO CNC(=O)NC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516114 840075464 /nfs/dbraw/zinc/07/54/64/840075464.db2.gz PQYYVGSTOZIJPN-UHFFFAOYSA-N 1 0 295.339 0.697 20 10 CCCDRO CCOc1cccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205348040 844538023 /nfs/dbraw/zinc/53/80/23/844538023.db2.gz YUIFOINCAIZULG-GHMZBOCLSA-N 1 0 252.314 0.295 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206456429 843549176 /nfs/dbraw/zinc/54/91/76/843549176.db2.gz NOECSJRNEFJPQY-QWHCGFSZSA-N 1 0 296.342 0.979 20 10 CCCDRO Nc1ccc(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000394380700 854174812 /nfs/dbraw/zinc/17/48/12/854174812.db2.gz PSCJOJNOHMPNLF-HNNXBMFYSA-N 1 0 288.395 0.317 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000697288895 855616701 /nfs/dbraw/zinc/61/67/01/855616701.db2.gz CYVHZWRRRUAAEK-VXGBXAGGSA-N 1 0 285.365 0.602 20 10 CCCDRO COc1cccc(C[NH2+]CCC2CS(=O)(=O)C2)c1O ZINC001326159467 913783321 /nfs/dbraw/zinc/78/33/21/913783321.db2.gz CGAINAZIHKKWMQ-UHFFFAOYSA-N 1 0 285.365 0.925 20 10 CCCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001308811151 908435747 /nfs/dbraw/zinc/43/57/47/908435747.db2.gz VUDGYDBEDOJCNM-LLVKDONJSA-N 1 0 282.731 0.788 20 10 CCCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(N)=O)cc1C ZINC001329107992 915674656 /nfs/dbraw/zinc/67/46/56/915674656.db2.gz GPPVQIUXEZBMQS-MNOVXSKESA-N 1 0 293.367 0.472 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C(=O)OC ZINC001334753229 919744151 /nfs/dbraw/zinc/74/41/51/919744151.db2.gz BIWUFYGNMNIKHI-BETUJISGSA-N 1 0 292.335 0.663 20 10 CCCDRO C[NH+]1CCN(c2ccc(CNc3ncnc(N)n3)cc2)CC1 ZINC001336701136 920935882 /nfs/dbraw/zinc/93/58/82/920935882.db2.gz JOTLTKBVFQIWMN-UHFFFAOYSA-N 1 0 299.382 0.818 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC001343431704 923314151 /nfs/dbraw/zinc/31/41/51/923314151.db2.gz MVOHWUFJSBXPJG-WFASDCNBSA-N 1 0 293.411 0.894 20 10 CCCDRO O=C(NC1CC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001353297647 925785076 /nfs/dbraw/zinc/78/50/76/925785076.db2.gz DLSVJGQFHSLRSQ-UHFFFAOYSA-N 1 0 289.335 0.103 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)CNCC[NH3+])cc1 ZINC001357488253 926546894 /nfs/dbraw/zinc/54/68/94/926546894.db2.gz WXJWCAYWUFOINU-UHFFFAOYSA-N 1 0 264.373 0.259 20 10 CCCDRO [NH3+]C[C@]1(C(=O)NCc2c(O)cccc2F)CCCOC1 ZINC001358168624 926649590 /nfs/dbraw/zinc/64/95/90/926649590.db2.gz WKKJOCXIHLFXLC-CQSZACIVSA-N 1 0 282.315 0.903 20 10 CCCDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1c(O)cccc1F ZINC001358167036 926650000 /nfs/dbraw/zinc/65/00/00/926650000.db2.gz AKMRWZQINUVQSY-SECBINFHSA-N 1 0 268.288 0.526 20 10 CCCDRO CNS(=O)(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000190304073 351717581 /nfs/dbraw/zinc/71/75/81/351717581.db2.gz HJWXDWLNLQZTEG-UHFFFAOYSA-N 1 0 274.342 0.040 20 10 CCCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000230989581 352124395 /nfs/dbraw/zinc/12/43/95/352124395.db2.gz RMQKSMLESCDOLT-UHFFFAOYSA-N 1 0 258.343 0.373 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1F ZINC000269234342 352831496 /nfs/dbraw/zinc/83/14/96/352831496.db2.gz GAXXDJPTDPBMIP-LBPRGKRZSA-N 1 0 295.358 0.886 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1F ZINC000269234340 352831521 /nfs/dbraw/zinc/83/15/21/352831521.db2.gz GAXXDJPTDPBMIP-GFCCVEGCSA-N 1 0 295.358 0.886 20 10 CCCDRO COCC[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000282147165 353397148 /nfs/dbraw/zinc/39/71/48/353397148.db2.gz HLYZBWUBPRYAMM-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000193673723 389077065 /nfs/dbraw/zinc/07/70/65/389077065.db2.gz UIXPMMNJZGAJAW-SDBXPKJASA-N 1 0 278.308 0.735 20 10 CCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269260683 389410446 /nfs/dbraw/zinc/41/04/46/389410446.db2.gz VPFPITQCNQPYRR-LBPRGKRZSA-N 1 0 291.395 0.859 20 10 CCCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[NH2+]CCO1 ZINC000178711066 389616598 /nfs/dbraw/zinc/61/65/98/389616598.db2.gz VQJHBPOXTBKRRB-OAHLLOKOSA-N 1 0 289.379 0.891 20 10 CCCDRO O=C(NCCCC[NH+]1CCOCC1)c1cccc(O)c1O ZINC000186948838 262117564 /nfs/dbraw/zinc/11/75/64/262117564.db2.gz SXVDCBHQHVLQLD-UHFFFAOYSA-N 1 0 294.351 0.940 20 10 CCCDRO Cc1cccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1O ZINC000369049159 267219060 /nfs/dbraw/zinc/21/90/60/267219060.db2.gz KYJDUQIHIUZWJS-UHFFFAOYSA-N 1 0 284.381 0.954 20 10 CCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CN(C)CCO1 ZINC000274229276 328209957 /nfs/dbraw/zinc/20/99/57/328209957.db2.gz RRFRERWFEKLSFY-IINYFYTJSA-N 1 0 294.351 0.476 20 10 CCCDRO OCc1cn(CCC[NH2+]Cc2cc(F)ccc2O)nn1 ZINC000291526004 328264248 /nfs/dbraw/zinc/26/42/48/328264248.db2.gz JPWZLNFHRIUPDH-UHFFFAOYSA-N 1 0 280.303 0.795 20 10 CCCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000424148025 330294932 /nfs/dbraw/zinc/29/49/32/330294932.db2.gz SSMTZFOYKZODJW-SNVBAGLBSA-N 1 0 288.355 0.887 20 10 CCCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608301 333266096 /nfs/dbraw/zinc/26/60/96/333266096.db2.gz OIWAIJGGMBFQMQ-ZDUSSCGKSA-N 1 0 267.348 0.867 20 10 CCCDRO COc1c(O)c(C[NH2+][C@@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000278524398 521878505 /nfs/dbraw/zinc/87/85/05/521878505.db2.gz SSNJDDWWENNULF-CYBMUJFWSA-N 1 0 298.295 0.550 20 10 CCCDRO CN(C)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1F ZINC000278447731 522185169 /nfs/dbraw/zinc/18/51/69/522185169.db2.gz XHSLZZPGCBDGHH-STQMWFEESA-N 1 0 254.305 0.429 20 10 CCCDRO CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000278447726 522185383 /nfs/dbraw/zinc/18/53/83/522185383.db2.gz XHSLZZPGCBDGHH-BETUJISGSA-N 1 0 254.305 0.429 20 10 CCCDRO COC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000279800869 522304309 /nfs/dbraw/zinc/30/43/09/522304309.db2.gz NMOCYYAWUFGRQS-SECBINFHSA-N 1 0 286.284 0.406 20 10 CCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000278157131 523506251 /nfs/dbraw/zinc/50/62/51/523506251.db2.gz AYZNTINEDPDLHO-LLVKDONJSA-N 1 0 283.347 0.872 20 10 CCCDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126272275 523981367 /nfs/dbraw/zinc/98/13/67/523981367.db2.gz TVYGDUBCMQGYPA-SECBINFHSA-N 1 0 250.298 0.779 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068803535 524753558 /nfs/dbraw/zinc/75/35/58/524753558.db2.gz HGOIVIPDYSRRHT-CYBMUJFWSA-N 1 0 279.384 0.736 20 10 CCCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000274904015 527599002 /nfs/dbraw/zinc/59/90/02/527599002.db2.gz HTBMJZFVWCFROP-UWVGGRQHSA-N 1 0 267.281 0.048 20 10 CCCDRO Cn1nnnc1CC[NH2+]Cc1cc(F)ccc1O ZINC000779107353 581174779 /nfs/dbraw/zinc/17/47/79/581174779.db2.gz ZWDFDDJWULURMH-UHFFFAOYSA-N 1 0 251.265 0.387 20 10 CCCDRO O=C(NCCNc1cc[nH+]cc1)c1cccc(O)c1O ZINC000790559452 581190354 /nfs/dbraw/zinc/19/03/54/581190354.db2.gz MMLDOZQSYQXRGD-UHFFFAOYSA-N 1 0 273.292 0.757 20 10 CCCDRO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000768772544 581655468 /nfs/dbraw/zinc/65/54/68/581655468.db2.gz ZPBQDXFOIKETOL-WFASDCNBSA-N 1 0 291.395 0.681 20 10 CCCDRO Oc1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000770395121 581741673 /nfs/dbraw/zinc/74/16/73/581741673.db2.gz PSYSKDOLJJEFPZ-PHIMTYICSA-N 1 0 262.309 0.772 20 10 CCCDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 ZINC000834317048 617178101 /nfs/dbraw/zinc/17/81/01/617178101.db2.gz OPVMUTQJQPDGQZ-MFKMUULPSA-N 1 0 263.341 0.386 20 10 CCCDRO COc1cc(Cl)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000839166803 617196159 /nfs/dbraw/zinc/19/61/59/617196159.db2.gz UEOIUYUECDYQIJ-MWLCHTKSSA-N 1 0 287.743 0.839 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@@H]2COCO2)cc1OC ZINC000894875636 617207782 /nfs/dbraw/zinc/20/77/82/617207782.db2.gz HHPQFNADVIMOKZ-SNVBAGLBSA-N 1 0 269.297 0.872 20 10 CCCDRO COc1ccc(C[NH2+]C[C@]2(O)CCOC2)c(O)c1OC ZINC000893216787 617258758 /nfs/dbraw/zinc/25/87/58/617258758.db2.gz XINFCZUNVARBHQ-CQSZACIVSA-N 1 0 283.324 0.650 20 10 CCCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)[C@H](C)O)CC2)cc1 ZINC000929315971 617267604 /nfs/dbraw/zinc/26/76/04/617267604.db2.gz NRHUYFLKOWWHNU-XJKSGUPXSA-N 1 0 294.395 0.949 20 10 CCCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[NH3+])C2)cc1 ZINC000843506173 617267970 /nfs/dbraw/zinc/26/79/70/617267970.db2.gz LOUNJCASKGDIDQ-NSHDSACASA-N 1 0 263.341 0.596 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000862551926 617273273 /nfs/dbraw/zinc/27/32/73/617273273.db2.gz QSPPWSZCPMDTDS-LBPRGKRZSA-N 1 0 266.341 0.557 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000862542465 617273652 /nfs/dbraw/zinc/27/36/52/617273652.db2.gz QABSWSXXZDBKSJ-SECBINFHSA-N 1 0 268.313 0.899 20 10 CCCDRO COc1cccc(O)c1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000843058073 617305430 /nfs/dbraw/zinc/30/54/30/617305430.db2.gz OJUHTLGKWZOERF-HZMBPMFUSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1cccc(O)c1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000843058076 617305272 /nfs/dbraw/zinc/30/52/72/617305272.db2.gz OJUHTLGKWZOERF-YGRLFVJLSA-N 1 0 266.341 0.949 20 10 CCCDRO CCN(CC)c1ccc(CN(C)C(=O)C2(O)C[NH2+]C2)cc1 ZINC000852856984 615013406 /nfs/dbraw/zinc/01/34/06/615013406.db2.gz IATBTWBMFFGOSV-UHFFFAOYSA-N 1 0 291.395 0.826 20 10 CCCDRO CCN(CC[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000861641478 615046780 /nfs/dbraw/zinc/04/67/80/615046780.db2.gz SVFXVKKZMJLFFC-UHFFFAOYSA-N 1 0 250.346 0.802 20 10 CCCDRO CC[NH2+]CCNC(=O)NCc1cccc(OC)c1O ZINC000841935414 615086890 /nfs/dbraw/zinc/08/68/90/615086890.db2.gz USAGVTQMBLEIJM-UHFFFAOYSA-N 1 0 267.329 0.810 20 10 CCCDRO CC[NH+]1CCN(CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000807433762 615158731 /nfs/dbraw/zinc/15/87/31/615158731.db2.gz NQNJQUDDQGDWTH-UHFFFAOYSA-N 1 0 283.397 0.821 20 10 CCCDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(C)cc1O ZINC000876984409 615348000 /nfs/dbraw/zinc/34/80/00/615348000.db2.gz HPVSUCVBVZRDKE-UHFFFAOYSA-N 1 0 272.370 0.730 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCNC2=O)c1 ZINC000850343879 615512229 /nfs/dbraw/zinc/51/22/29/615512229.db2.gz SOFCVKVWQGXCAI-NSHDSACASA-N 1 0 250.298 0.769 20 10 CCCDRO CCOc1cccc(C[NH+](CCO)CCO)c1O ZINC000862430422 615515968 /nfs/dbraw/zinc/51/59/68/615515968.db2.gz VHYGMXCGPGLGEA-UHFFFAOYSA-N 1 0 255.314 0.578 20 10 CCCDRO CC[C@H]([NH3+])CNC(=O)NCc1cccc(OC)c1O ZINC000842008310 615791992 /nfs/dbraw/zinc/79/19/92/615791992.db2.gz TXUAAMOZIBICKE-JTQLQIEISA-N 1 0 267.329 0.937 20 10 CCCDRO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877077556 615816646 /nfs/dbraw/zinc/81/66/46/615816646.db2.gz MSUKZYVAPABLCP-GFCCVEGCSA-N 1 0 276.340 0.100 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)NCCc1ccc(N)cc1 ZINC000841885996 615905839 /nfs/dbraw/zinc/90/58/39/615905839.db2.gz HTESHZZXSYOLKE-UHFFFAOYSA-N 1 0 294.399 0.689 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCN(C)[C@H](CO)C2)cc1 ZINC000931400652 616013954 /nfs/dbraw/zinc/01/39/54/616013954.db2.gz AWQNONXORNGBSH-HNNXBMFYSA-N 1 0 263.385 0.861 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000844217828 616014476 /nfs/dbraw/zinc/01/44/76/616014476.db2.gz OEXVGPKURFIHPD-CQSZACIVSA-N 1 0 290.411 0.792 20 10 CCCDRO CN(C)c1ccc(Cn2cc([C@H]([NH3+])CO)nn2)cc1 ZINC000881271155 616016484 /nfs/dbraw/zinc/01/64/84/616016484.db2.gz ILAAOWOQNYILFW-GFCCVEGCSA-N 1 0 261.329 0.385 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)cn2)cc1 ZINC000832267309 616019805 /nfs/dbraw/zinc/01/98/05/616019805.db2.gz QBCYXNHNKKMFDA-CYBMUJFWSA-N 1 0 287.367 0.916 20 10 CCCDRO C[N@H+](CCC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000016387331 616069707 /nfs/dbraw/zinc/06/97/07/616069707.db2.gz XLINMYNZPFQCOE-UHFFFAOYSA-N 1 0 277.368 0.830 20 10 CCCDRO C[N@H+](CCO)CCNC(=O)Nc1ccc(N)cc1 ZINC000886960855 616104352 /nfs/dbraw/zinc/10/43/52/616104352.db2.gz FOYRERODMWLUOD-UHFFFAOYSA-N 1 0 252.318 0.314 20 10 CCCDRO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)C[NH3+] ZINC000841092286 616164682 /nfs/dbraw/zinc/16/46/82/616164682.db2.gz MBAXOTVECZLRFV-VIFPVBQESA-N 1 0 289.719 0.705 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852817278 616170701 /nfs/dbraw/zinc/17/07/01/616170701.db2.gz UQLXAWFTPBIVCE-JTQLQIEISA-N 1 0 263.297 0.454 20 10 CCCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929976313 616171083 /nfs/dbraw/zinc/17/10/83/616171083.db2.gz MYVBFFIUUUJOIA-HIFRSBDPSA-N 1 0 281.352 0.726 20 10 CCCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](CO)C1 ZINC000877644048 616245337 /nfs/dbraw/zinc/24/53/37/616245337.db2.gz LEZNDWGZPJPJRL-NSHDSACASA-N 1 0 280.324 0.229 20 10 CCCDRO CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903276802 616250779 /nfs/dbraw/zinc/25/07/79/616250779.db2.gz CCRVYKACEXWHPP-XJKSGUPXSA-N 1 0 292.379 0.662 20 10 CCCDRO COCC[NH2+]CC(=O)N[C@H](C)c1ccccc1O ZINC000870988209 616508266 /nfs/dbraw/zinc/50/82/66/616508266.db2.gz IUXABJDPKYJNCR-SNVBAGLBSA-N 1 0 252.314 0.805 20 10 CCCDRO COCC[NH2+]CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000892055303 616509587 /nfs/dbraw/zinc/50/95/87/616509587.db2.gz JIUDCKLJAQHQQR-NSHDSACASA-N 1 0 281.356 0.988 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000895702547 616561072 /nfs/dbraw/zinc/56/10/72/616561072.db2.gz QGNYSQXSNIZORF-CQSZACIVSA-N 1 0 265.309 0.810 20 10 CCCDRO COCCOC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997083 616561307 /nfs/dbraw/zinc/56/13/07/616561307.db2.gz RFHJQDQODXXDQT-AWEZNQCLSA-N 1 0 281.352 0.735 20 10 CCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(F)ccc1O ZINC000843124361 616692353 /nfs/dbraw/zinc/69/23/53/616692353.db2.gz ZDCGLKLNRLGWLO-GFCCVEGCSA-N 1 0 282.315 0.868 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000866421031 616918317 /nfs/dbraw/zinc/91/83/17/616918317.db2.gz UZALRDJJKJVHJL-KDDOJWQBSA-N 1 0 281.308 0.589 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925870247 616918629 /nfs/dbraw/zinc/91/86/29/616918629.db2.gz UYVFMYMJWKEAEU-WPRPVWTQSA-N 1 0 266.297 0.733 20 10 CCCDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000846046790 616992286 /nfs/dbraw/zinc/99/22/86/616992286.db2.gz BEJFJXQCDDNMHM-NWDGAFQWSA-N 1 0 297.351 0.991 20 10 CCCDRO COc1c(O)c(C[NH2+]C2COCCOC2)ccc1[N+](=O)[O-] ZINC000814172551 617149092 /nfs/dbraw/zinc/14/90/92/617149092.db2.gz RXZXGBBSKCERRA-UHFFFAOYSA-N 1 0 298.295 0.814 20 10 CCCDRO C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1O ZINC000892288521 622780867 /nfs/dbraw/zinc/78/08/67/622780867.db2.gz CHOBPPCQOJLNOB-WDEREUQCSA-N 1 0 279.340 0.741 20 10 CCCDRO CCS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740683 624628518 /nfs/dbraw/zinc/62/85/18/624628518.db2.gz QOFJBJASARPJQP-UHFFFAOYSA-N 1 0 297.424 0.878 20 10 CCCDRO OC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902631435 634420629 /nfs/dbraw/zinc/42/06/29/634420629.db2.gz HVGZEPNQVAOGRC-JOYOIKCWSA-N 1 0 251.282 0.385 20 10 CCCDRO COc1cc(O)c(CN2CC[NH2+]CC2)cc1OC ZINC000258771545 631002536 /nfs/dbraw/zinc/00/25/36/631002536.db2.gz WTLSNMAOORVXAH-UHFFFAOYSA-N 1 0 252.314 0.815 20 10 CCCDRO O=C1NC(=O)C2(C[NH+](Cc3ccc4ccccc4c3O)C2)N1 ZINC000897904049 633253622 /nfs/dbraw/zinc/25/36/22/633253622.db2.gz OZYSFGBJMRTHMO-UHFFFAOYSA-N 1 0 297.314 0.939 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1O ZINC000927031483 633579241 /nfs/dbraw/zinc/57/92/41/633579241.db2.gz OFIPSFKHQVQNTF-VHSXEESVSA-N 1 0 273.354 0.448 20 10 CCCDRO O=C(NCc1ccc(O)c(O)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000901133373 634197320 /nfs/dbraw/zinc/19/73/20/634197320.db2.gz XCDMQLJEXQZPQV-GFCCVEGCSA-N 1 0 292.335 0.435 20 10 CCCDRO [O-]c1c(F)cccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000083396134 638797593 /nfs/dbraw/zinc/79/75/93/638797593.db2.gz QRFSAHSLOCMPKU-UHFFFAOYSA-N 1 0 253.321 0.526 20 10 CCCDRO C[C@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2O)C1=O ZINC000838895216 640278577 /nfs/dbraw/zinc/27/85/77/640278577.db2.gz LTMZJRCYOCMCLN-SNVBAGLBSA-N 1 0 277.324 0.764 20 10 CCCDRO OC[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839160249 640307109 /nfs/dbraw/zinc/30/71/09/640307109.db2.gz SBKVSDPYJBSKAH-AWEZNQCLSA-N 1 0 281.308 0.440 20 10 CCCDRO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccccc1O ZINC000825336999 641881735 /nfs/dbraw/zinc/88/17/35/641881735.db2.gz CIPDKKLGGGJEPA-LBPRGKRZSA-N 1 0 250.342 0.891 20 10 CCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]1 ZINC000827567678 642017059 /nfs/dbraw/zinc/01/70/59/642017059.db2.gz UZPQVHGHKRAMJD-CQSZACIVSA-N 1 0 275.352 0.501 20 10 CCCDRO [NH3+]CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706771 642832398 /nfs/dbraw/zinc/83/23/98/642832398.db2.gz JMKHFMQNQDTETP-UHFFFAOYSA-N 1 0 294.424 0.998 20 10 CCCDRO Nc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000859697406 644724289 /nfs/dbraw/zinc/72/42/89/644724289.db2.gz GRKFPJVAPRWABC-GFCCVEGCSA-N 1 0 264.329 0.457 20 10 CCCDRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1O ZINC000870988198 646073752 /nfs/dbraw/zinc/07/37/52/646073752.db2.gz IJTUXOYSNUUSTB-ZETOZRRWSA-N 1 0 276.336 0.805 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCN1CCCS1(=O)=O ZINC000877022259 646717384 /nfs/dbraw/zinc/71/73/84/646717384.db2.gz RVJAUSFVAJMDPS-UHFFFAOYSA-N 1 0 284.381 0.826 20 10 CCCDRO C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccccc1O ZINC000877255655 646770528 /nfs/dbraw/zinc/77/05/28/646770528.db2.gz GOZGTGPAOCBPIP-UFGOTCBOSA-N 1 0 264.325 0.933 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000877343044 646799706 /nfs/dbraw/zinc/79/97/06/646799706.db2.gz IFBRAAXSCQCSFV-NSHDSACASA-N 1 0 284.381 0.954 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000877490473 646819545 /nfs/dbraw/zinc/81/95/45/646819545.db2.gz WTHANFYHPPJCHQ-HNNXBMFYSA-N 1 0 289.335 0.875 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCNS(=O)(=O)N(C)C ZINC000877520214 646821726 /nfs/dbraw/zinc/82/17/26/646821726.db2.gz QAKKMPOSKNLYPD-UHFFFAOYSA-N 1 0 287.385 0.186 20 10 CCCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(O)c1 ZINC000877657644 646832761 /nfs/dbraw/zinc/83/27/61/646832761.db2.gz GKXLYYFALYQQJO-LBPRGKRZSA-N 1 0 264.325 0.777 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000877667452 646833892 /nfs/dbraw/zinc/83/38/92/646833892.db2.gz HCLKWBYJNKDHDV-KGLIPLIRSA-N 1 0 250.342 0.910 20 10 CCCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000886241254 647928450 /nfs/dbraw/zinc/92/84/50/647928450.db2.gz SOXPTFSFMITAER-MKZZRHPPSA-N 1 0 292.379 0.497 20 10 CCCDRO C[C@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210962 648836732 /nfs/dbraw/zinc/83/67/32/648836732.db2.gz QTFZLHOZEASUJN-XEZPLFJOSA-N 1 0 294.395 0.916 20 10 CCCDRO C[C@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccccc1O ZINC000931558639 649005093 /nfs/dbraw/zinc/00/50/93/649005093.db2.gz WBFQRLWCUIINFK-ZOWXZIJZSA-N 1 0 281.352 0.945 20 10 CCCDRO COc1cc(O)c(C[NH2+]C2(C(N)=O)CC2)cc1OC ZINC000191483021 649479369 /nfs/dbraw/zinc/47/93/69/649479369.db2.gz HVTZEMSUKWNCIB-UHFFFAOYSA-N 1 0 266.297 0.517 20 10 CCCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000036746873 790449854 /nfs/dbraw/zinc/44/98/54/790449854.db2.gz KUZAMRKHPODSLQ-UHFFFAOYSA-N 1 0 263.341 0.488 20 10 CCCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000382586003 790801132 /nfs/dbraw/zinc/80/11/32/790801132.db2.gz XJQOBKJSYWMWCW-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO COCC[NH+]1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231633219 805822320 /nfs/dbraw/zinc/82/23/20/805822320.db2.gz LEDGVDGPGKBDRO-UHFFFAOYSA-N 1 0 296.367 0.870 20 10 CCCDRO COc1cc(C[NH+]2CC3(COC3)C2)c(O)cc1O ZINC001231634188 805822875 /nfs/dbraw/zinc/82/28/75/805822875.db2.gz IVEAKZSXAWWESE-UHFFFAOYSA-N 1 0 251.282 0.939 20 10 CCCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233482731 806059675 /nfs/dbraw/zinc/05/96/75/806059675.db2.gz AEGHWUBDLOPFOA-AWEZNQCLSA-N 1 0 278.308 0.515 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233486871 806062817 /nfs/dbraw/zinc/06/28/17/806062817.db2.gz GTLHQAGYCUYLMJ-ZDUSSCGKSA-N 1 0 297.307 0.567 20 10 CCCDRO Cc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234986338 806329661 /nfs/dbraw/zinc/32/96/61/806329661.db2.gz JVJOMRLVPDINBS-HNNXBMFYSA-N 1 0 261.369 0.838 20 10 CCCDRO Oc1cc(O)c(CN2CCNC[C@]23CC[NH2+]C3)cc1Cl ZINC001234991122 806338466 /nfs/dbraw/zinc/33/84/66/806338466.db2.gz WMTMOBKHXMPHKA-CQSZACIVSA-N 1 0 297.786 0.889 20 10 CCCDRO COc1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235051288 806352923 /nfs/dbraw/zinc/35/29/23/806352923.db2.gz IBVVAYODYXHZFS-HNNXBMFYSA-N 1 0 277.368 0.538 20 10 CCCDRO COc1cccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235052296 806354622 /nfs/dbraw/zinc/35/46/22/806354622.db2.gz OLTSJKSRUQMMJU-HNNXBMFYSA-N 1 0 277.368 0.538 20 10 CCCDRO Oc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235074582 806369677 /nfs/dbraw/zinc/36/96/77/806369677.db2.gz FADFDRBFFZBKKQ-GHMZBOCLSA-N 1 0 250.298 0.740 20 10 CCCDRO Nc1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236166767 806544782 /nfs/dbraw/zinc/54/47/82/806544782.db2.gz SFPAFQBRYRXYNQ-AWEZNQCLSA-N 1 0 261.369 0.958 20 10 CCCDRO CN1CCOc2cc(CN3C[C@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001236288781 806560870 /nfs/dbraw/zinc/56/08/70/806560870.db2.gz IZUXJQBXRCMQAA-OCCSQVGLSA-N 1 0 259.353 0.919 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(C(=O)N(C)C)C2)cc1OC ZINC001236756685 806607089 /nfs/dbraw/zinc/60/70/89/806607089.db2.gz OMFCUFGLIVQQCS-UHFFFAOYSA-N 1 0 294.351 0.929 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001237050979 806634885 /nfs/dbraw/zinc/63/48/85/806634885.db2.gz ZFVNPHKKGKQFHU-WFASDCNBSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(N2CC[C@@H]([NH2+]CCC(N)=O)C2)cc1 ZINC001120597192 798883620 /nfs/dbraw/zinc/88/36/20/798883620.db2.gz QBOICYBITZBZPM-LLVKDONJSA-N 1 0 263.341 0.739 20 10 CCCDRO Nc1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC001122538581 799257849 /nfs/dbraw/zinc/25/78/49/799257849.db2.gz FTKUPBHOJABATJ-ZDUSSCGKSA-N 1 0 263.341 0.654 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001140057683 799877403 /nfs/dbraw/zinc/87/74/03/799877403.db2.gz KBNWGCXMTXCYTL-RNCFNFMXSA-N 1 0 255.289 0.706 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H](O)CO ZINC001140283894 799901315 /nfs/dbraw/zinc/90/13/15/799901315.db2.gz FVPUXTOATNEBTM-INIZCTEOSA-N 1 0 294.395 0.433 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCN1C ZINC001140623202 799927168 /nfs/dbraw/zinc/92/71/68/799927168.db2.gz KMPWUOKTHSMYCH-CYBMUJFWSA-N 1 0 278.352 0.990 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001140744217 799937316 /nfs/dbraw/zinc/93/73/16/799937316.db2.gz PSWIKUXPZIFYEB-UKRRQHHQSA-N 1 0 281.352 0.971 20 10 CCCDRO Cc1c(O)ccc(C[NH+]2CCN(CCCO)CC2)c1O ZINC001140744412 799937554 /nfs/dbraw/zinc/93/75/54/799937554.db2.gz WQGGLYLXAHWDEF-UHFFFAOYSA-N 1 0 280.368 0.906 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)ccc21 ZINC001141140900 799984616 /nfs/dbraw/zinc/98/46/16/799984616.db2.gz RHVUDWWAWAUKDV-HIFRSBDPSA-N 1 0 292.379 0.690 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)ccc21 ZINC001141140991 799984703 /nfs/dbraw/zinc/98/47/03/799984703.db2.gz RHVUDWWAWAUKDV-ZFWWWQNUSA-N 1 0 292.379 0.690 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](C(N)=O)C3)ccc21 ZINC001141144008 799985528 /nfs/dbraw/zinc/98/55/28/799985528.db2.gz SICPLINZFHKOTK-GFCCVEGCSA-N 1 0 275.352 0.822 20 10 CCCDRO CN1CC[N@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141159980 799986532 /nfs/dbraw/zinc/98/65/32/799986532.db2.gz NZNLUQWAPWQLJM-UHFFFAOYSA-N 1 0 250.298 0.762 20 10 CCCDRO CN(C)C(=O)C1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141160013 799986760 /nfs/dbraw/zinc/98/67/60/799986760.db2.gz PGLKJOANAFACEB-UHFFFAOYSA-N 1 0 250.298 0.618 20 10 CCCDRO C[C@H](NS(=O)(=O)CC[NH3+])c1ccc(N(C)C)cc1 ZINC001238636806 806794982 /nfs/dbraw/zinc/79/49/82/806794982.db2.gz SUBGETZVLYNEJV-JTQLQIEISA-N 1 0 271.386 0.692 20 10 CCCDRO C[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1[NH3+] ZINC001157821470 801495405 /nfs/dbraw/zinc/49/54/05/801495405.db2.gz MIBBGPRDYPARSA-APPZFPTMSA-N 1 0 266.297 0.613 20 10 CCCDRO Cn1ccc(-c2ncccc2N2CC[NH2+]CC2)cc1=O ZINC001240977731 806960144 /nfs/dbraw/zinc/96/01/44/806960144.db2.gz LEECMSPKEZWUGT-UHFFFAOYSA-N 1 0 270.336 0.857 20 10 CCCDRO CN1CCc2c(N(CC[NH3+])CCO)ccc([N+](=O)[O-])c2C1 ZINC001163835915 802621989 /nfs/dbraw/zinc/62/19/89/802621989.db2.gz IIGZEPNUBYFNGJ-UHFFFAOYSA-N 1 0 294.355 0.340 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204276954 803075984 /nfs/dbraw/zinc/07/59/84/803075984.db2.gz UQKZHWZCXHBOKP-UONOGXRCSA-N 1 0 267.325 0.663 20 10 CCCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001206444686 803243340 /nfs/dbraw/zinc/24/33/40/803243340.db2.gz KGZQEDFHUWZHFG-RKDXNWHRSA-N 1 0 256.277 0.675 20 10 CCCDRO COc1cc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206525148 803260044 /nfs/dbraw/zinc/26/00/44/803260044.db2.gz IBTJVOJOUXGBOU-ZANVPECISA-N 1 0 282.340 0.161 20 10 CCCDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000400111152 803762300 /nfs/dbraw/zinc/76/23/00/803762300.db2.gz FWIQDRGOIZZQJT-LLVKDONJSA-N 1 0 288.344 0.655 20 10 CCCDRO [NH3+]Cc1ccc(NC(=O)CN2C(=O)CSC2=S)cc1 ZINC001219345246 804279506 /nfs/dbraw/zinc/27/95/06/804279506.db2.gz FFKLJOWHBALQGW-UHFFFAOYSA-N 1 0 295.389 0.944 20 10 CCCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001220114863 804503502 /nfs/dbraw/zinc/50/35/02/804503502.db2.gz ACDBKALLLKPISH-KOLCDFICSA-N 1 0 294.351 0.850 20 10 CCCDRO C[C@H](C[NH+](C)C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465961 805236165 /nfs/dbraw/zinc/23/61/65/805236165.db2.gz XONOBHSJLUDHIG-RXMQYKEDSA-N 1 0 259.258 0.544 20 10 CCCDRO NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2O1 ZINC001277192020 805332833 /nfs/dbraw/zinc/33/28/33/805332833.db2.gz JLHAOTAGBGHTCH-OSMZGAPFSA-N 1 0 292.335 0.563 20 10 CCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1 ZINC001246309281 807217354 /nfs/dbraw/zinc/21/73/54/807217354.db2.gz JGQJTFDWOKUUND-OCCSQVGLSA-N 1 0 277.368 0.746 20 10 CCCDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1O ZINC001251036291 807651026 /nfs/dbraw/zinc/65/10/26/807651026.db2.gz FGXSCYCHPGGTHY-CHWSQXEVSA-N 1 0 280.368 0.736 20 10 CCCDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001265873687 809882924 /nfs/dbraw/zinc/88/29/24/809882924.db2.gz ZGBFYDGKYXTOJB-SECBINFHSA-N 1 0 293.327 0.549 20 10 CCCDRO COC1(C(=O)NCc2ccccc2O)CC[NH2+]CC1 ZINC000394032575 811503208 /nfs/dbraw/zinc/50/32/08/811503208.db2.gz JJQMNXRRKBLZNJ-UHFFFAOYSA-N 1 0 264.325 0.777 20 10 CCCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3O)[C@@H]2C1 ZINC001270068458 813611784 /nfs/dbraw/zinc/61/17/84/813611784.db2.gz UDFLNMCVJALNCL-WCBMZHEXSA-N 1 0 278.308 0.580 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1Cl ZINC001232267151 816120534 /nfs/dbraw/zinc/12/05/34/816120534.db2.gz XVVYGHJWZWFMPQ-SKDRFNHKSA-N 1 0 287.743 0.839 20 10 CCCDRO OC[C@@H]1C[C@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483160 816324914 /nfs/dbraw/zinc/32/49/14/816324914.db2.gz PJWBCMUKSOZJRH-SCZZXKLOSA-N 1 0 271.288 0.956 20 10 CCCDRO COc1ccc(C[NH2+]CCNC(=O)CNC(C)=O)cc1C ZINC001122675659 816752983 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LVXQBOJMFDNRDJ-BXUZGUMPSA-N 1 0 279.384 0.585 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[NH2+]CCN2C)c1 ZINC001341827229 922690789 /nfs/dbraw/zinc/69/07/89/922690789.db2.gz VVFFIDXVBURRAP-GXFFZTMASA-N 1 0 293.367 0.482 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1O ZINC001349310902 924929562 /nfs/dbraw/zinc/92/95/62/924929562.db2.gz MTNZWCURCIIQOG-OCCSQVGLSA-N 1 0 289.379 0.739 20 10 CCCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(N)cc3)C2=O)cn1 ZINC001352788787 925641854 /nfs/dbraw/zinc/64/18/54/925641854.db2.gz HFMFLZTXGZYRAH-CQSZACIVSA-N 1 0 285.351 0.897 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092068425 349482772 /nfs/dbraw/zinc/48/27/72/349482772.db2.gz AEEZSGGRMLHWLW-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO COCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000294973483 199277867 /nfs/dbraw/zinc/27/78/67/199277867.db2.gz OOMOKILQRPKMAC-ZDUSSCGKSA-N 1 0 269.341 0.848 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187671033 351553119 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174056592 /nfs/dbraw/zinc/05/65/92/174056592.db2.gz SYHYRRFHSNXRIU-UHFFFAOYSA-N 1 0 273.354 0.925 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000091310494 327102304 /nfs/dbraw/zinc/10/23/04/327102304.db2.gz JOQLERYMNIBQCI-CQSZACIVSA-N 1 0 277.368 0.747 20 10 CCCDRO CNC(=O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228668733 329344371 /nfs/dbraw/zinc/34/43/71/329344371.db2.gz KAIMEHVOMFRQEE-UHFFFAOYSA-N 1 0 258.705 0.890 20 10 CCCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(O)c1O ZINC000187201582 521856123 /nfs/dbraw/zinc/85/61/23/521856123.db2.gz BSUYAUCOJCYWLP-ZDUSSCGKSA-N 1 0 268.313 0.140 20 10 CCCDRO CNC(=O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000785583989 581413120 /nfs/dbraw/zinc/41/31/20/581413120.db2.gz UJNSFFWAFYVNJM-ZDUSSCGKSA-N 1 0 280.324 0.981 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000894084252 617175196 /nfs/dbraw/zinc/17/51/96/617175196.db2.gz ISOMKBKOAUVDTA-GFCCVEGCSA-N 1 0 291.351 0.919 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000895014697 617175549 /nfs/dbraw/zinc/17/55/49/617175549.db2.gz MBKKXWNEUCJBNU-CHWSQXEVSA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@H]2CCNC2=O)c1O ZINC000895227054 617175982 /nfs/dbraw/zinc/17/59/82/617175982.db2.gz YZYYSABGRJCDDU-JTQLQIEISA-N 1 0 250.298 0.687 20 10 CCCDRO COc1cc(Cl)cc(CN(C)C[C@@H](O)C[NH3+])c1O ZINC000841092994 617196176 /nfs/dbraw/zinc/19/61/76/617196176.db2.gz PKPATQJAYUSTFE-JTQLQIEISA-N 1 0 274.748 0.806 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@@H](C[NH3+])C2)cc1OC ZINC000843065678 617207808 /nfs/dbraw/zinc/20/78/08/617207808.db2.gz OPHTWBMDOZXAQV-NSHDSACASA-N 1 0 282.340 0.569 20 10 CCCDRO COc1ccc(CNC(=O)COC2CC[NH2+]CC2)c(O)c1 ZINC000832178089 617253552 /nfs/dbraw/zinc/25/35/52/617253552.db2.gz NFOJRHRHVPQNAJ-UHFFFAOYSA-N 1 0 294.351 0.786 20 10 CCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC000969785275 617259326 /nfs/dbraw/zinc/25/93/26/617259326.db2.gz HZOKLAFIEZKZKW-GFCCVEGCSA-N 1 0 291.351 0.179 20 10 CCCDRO COc1ccc(C[NH2+][C@H](C)CC(N)=O)c(O)c1OC ZINC000893133008 617260024 /nfs/dbraw/zinc/26/00/24/617260024.db2.gz XWANILABKMYPCS-MRVPVSSYSA-N 1 0 268.313 0.763 20 10 CCCDRO COc1ccc(N2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925711909 617268021 /nfs/dbraw/zinc/26/80/21/617268021.db2.gz FTRIQTGWGAEQIE-ZIAGYGMSSA-N 1 0 291.395 0.852 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000828667917 617274007 /nfs/dbraw/zinc/27/40/07/617274007.db2.gz WLKVPBZAUVXWHK-NOZJJQNGSA-N 1 0 280.324 0.566 20 10 CCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000828667918 617274042 /nfs/dbraw/zinc/27/40/42/617274042.db2.gz WLKVPBZAUVXWHK-RNCFNFMXSA-N 1 0 280.324 0.566 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C2=NO[C@H](C[NH3+])C2)c1 ZINC000852886252 617274073 /nfs/dbraw/zinc/27/40/73/617274073.db2.gz ZNGUAOMMDKDWFS-WPRPVWTQSA-N 1 0 293.323 0.682 20 10 CCCDRO COc1cccc(C[NH+]2CCC(CO)(CO)CC2)c1O ZINC000877798211 617297037 /nfs/dbraw/zinc/29/70/37/617297037.db2.gz 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CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnccn2)cc1 ZINC000832283879 616019407 /nfs/dbraw/zinc/01/94/07/616019407.db2.gz CSEMKVZYDBRAES-ZDUSSCGKSA-N 1 0 285.351 0.972 20 10 CCCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CO ZINC000929185572 616167164 /nfs/dbraw/zinc/16/71/64/616167164.db2.gz OFNUIGGGFVNNFZ-HNNXBMFYSA-N 1 0 280.368 0.308 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN[C@H]3CCOC3=O)cc2)CC1 ZINC000895803333 616247044 /nfs/dbraw/zinc/24/70/44/616247044.db2.gz ALTTWFQOBAUMQG-HNNXBMFYSA-N 1 0 289.379 0.844 20 10 CCCDRO COCC[NH2+]CCNCc1ccc(N2CCOCC2)cc1 ZINC000841048505 616510442 /nfs/dbraw/zinc/51/04/42/616510442.db2.gz PRFCETCKHUQFMF-UHFFFAOYSA-N 1 0 293.411 0.849 20 10 CCCDRO COC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844544 616685226 /nfs/dbraw/zinc/68/52/26/616685226.db2.gz VSMGSFRSGCUCTD-FZMZJTMJSA-N 1 0 293.367 0.364 20 10 CCCDRO COCC1(CNC(=O)Cc2ccc(N)cc2)CC[NH2+]CC1 ZINC000834756062 616768116 /nfs/dbraw/zinc/76/81/16/616768116.db2.gz VHDKODZKZIFBDQ-UHFFFAOYSA-N 1 0 291.395 0.944 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COc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)cc1O ZINC001231634315 805823110 /nfs/dbraw/zinc/82/31/10/805823110.db2.gz LEOBKWXHOPKGEH-NOZJJQNGSA-N 1 0 283.324 0.282 20 10 CCCDRO Cc1ccc(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)c(O)c1 ZINC001277569417 805857123 /nfs/dbraw/zinc/85/71/23/805857123.db2.gz YVDZEJMECLQQDJ-MXYBEHONSA-N 1 0 290.363 0.900 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001232835686 805986556 /nfs/dbraw/zinc/98/65/56/805986556.db2.gz FQOJWXJFTDRBKD-OCCSQVGLSA-N 1 0 280.368 0.633 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1O ZINC001233482763 806058926 /nfs/dbraw/zinc/05/89/26/806058926.db2.gz BFHSTEOEASRRQT-QPUJVOFHSA-N 1 0 257.261 0.708 20 10 CCCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233484820 806062201 /nfs/dbraw/zinc/06/22/01/806062201.db2.gz YRJSGTJKDJYAKL-GHMZBOCLSA-N 1 0 292.335 0.999 20 10 CCCDRO Oc1c(F)cccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234982795 806326997 /nfs/dbraw/zinc/32/69/97/806326997.db2.gz 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ZINC001203670514 803042121 /nfs/dbraw/zinc/04/21/21/803042121.db2.gz SGBAALLTBDFDDW-SMDDNHRTSA-N 1 0 267.325 0.576 20 10 CCCDRO COc1cc(CN2CC([NH+](C)C)C2)cc(O)c1O ZINC001204344749 803080223 /nfs/dbraw/zinc/08/02/23/803080223.db2.gz YDZGRVBZFQJBDZ-UHFFFAOYSA-N 1 0 252.314 0.852 20 10 CCCDRO COc1cc(CN2CCC[NH2+]CC2)cc(O)c1O ZINC001204654941 803096283 /nfs/dbraw/zinc/09/62/83/803096283.db2.gz IBZUVFJLMIHVKL-UHFFFAOYSA-N 1 0 252.314 0.902 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(OC)c1 ZINC001204830398 803102833 /nfs/dbraw/zinc/10/28/33/803102833.db2.gz TURRUCLRWJUVHZ-MNOVXSKESA-N 1 0 270.304 0.890 20 10 CCCDRO CN1CCOc2cc(CN3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206475373 803250411 /nfs/dbraw/zinc/25/04/11/803250411.db2.gz NNBOMMPNTNFKQO-GXTWGEPZSA-N 1 0 277.368 0.267 20 10 CCCDRO N=c1cc(C[NH3+])ccn1C(=O)Cc1ccc(N)cc1 ZINC001220045233 804482146 /nfs/dbraw/zinc/48/21/46/804482146.db2.gz RGWDKFNMIUOUFQ-UHFFFAOYSA-N 1 0 256.309 0.891 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)c(O)c1 ZINC001220826050 804676116 /nfs/dbraw/zinc/67/61/16/804676116.db2.gz YYJWDZVZUWZXAH-WBMJQRKESA-N 1 0 289.379 0.577 20 10 CCCDRO C[C@@H](C[NH+](C)C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465962 805234927 /nfs/dbraw/zinc/23/49/27/805234927.db2.gz XONOBHSJLUDHIG-YFKPBYRVSA-N 1 0 259.258 0.544 20 10 CCCDRO CC[N@@H+]1CC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226464475 805235307 /nfs/dbraw/zinc/23/53/07/805235307.db2.gz HXIQGKGIFRGXTA-ZCFIWIBFSA-N 1 0 271.269 0.688 20 10 CCCDRO NC(=O)[C@@H]1CCSC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277192029 805334075 /nfs/dbraw/zinc/33/40/75/805334075.db2.gz JQDKJHIPWHCAIS-NSHDSACASA-N 1 0 294.376 0.891 20 10 CCCDRO C[C@@H]1CC[C@@H](NC[C@@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246071642 807140711 /nfs/dbraw/zinc/14/07/11/807140711.db2.gz BFWZRGXVYOUIQF-GLXFQSAKSA-N 1 0 266.341 0.861 20 10 CCCDRO C[NH+](C)CCNC(=S)NC[C@H](O)c1ccc(O)c(O)c1 ZINC001249822968 807569543 /nfs/dbraw/zinc/56/95/43/807569543.db2.gz 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CC(=O)NC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500588 840067720 /nfs/dbraw/zinc/06/77/20/840067720.db2.gz VWWOWBHTMFAISJ-UHFFFAOYSA-N 1 0 280.324 0.904 20 10 CCCDRO CN1CC[C@@H]([N@H+](C)Cc2c(O)cc(O)cc2O)C1 ZINC001144509555 840071837 /nfs/dbraw/zinc/07/18/37/840071837.db2.gz YWVVRFVZTDUHGS-SECBINFHSA-N 1 0 252.314 0.939 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001144509168 840073159 /nfs/dbraw/zinc/07/31/59/840073159.db2.gz NLVRCFRSYOIMCM-UHFFFAOYSA-N 1 0 280.324 0.320 20 10 CCCDRO O=C1NCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]12 ZINC001144515200 840073731 /nfs/dbraw/zinc/07/37/31/840073731.db2.gz HTSWXLHYWOPKTP-WCBMZHEXSA-N 1 0 278.308 0.371 20 10 CCCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000234801312 840690854 /nfs/dbraw/zinc/69/08/54/840690854.db2.gz NMXYHDLUGWIPFG-AWEZNQCLSA-N 1 0 280.368 0.620 20 10 CCCDRO C[NH+](C)C1(C)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148584903 840854127 /nfs/dbraw/zinc/85/41/27/840854127.db2.gz ZLJBJAUZIZGDLJ-UHFFFAOYSA-N 1 0 266.297 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ZINC000182456041 389709451 /nfs/dbraw/zinc/70/94/51/389709451.db2.gz RVBNDJSTNDCKHE-CYBMUJFWSA-N 1 0 264.325 0.647 20 10 CCCDRO Cc1cccc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000179586824 389660242 /nfs/dbraw/zinc/66/02/42/389660242.db2.gz VVFFFQZLUFBJSI-UHFFFAOYSA-N 1 0 278.352 0.991 20 10 CCCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530182731 390876045 /nfs/dbraw/zinc/87/60/45/390876045.db2.gz YWVYYOQSQJCZCR-LBPRGKRZSA-N 1 0 266.341 0.869 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000044797095 134911207 /nfs/dbraw/zinc/91/12/07/134911207.db2.gz DHSMVQVJDJHZQU-LBPRGKRZSA-N 1 0 277.368 0.939 20 10 CCCDRO COC[C@H](O)CC[NH2+]Cc1cccc(OC)c1O ZINC000153769690 261082687 /nfs/dbraw/zinc/08/26/87/261082687.db2.gz AVTSXZWJAAXOCW-LLVKDONJSA-N 1 0 255.314 0.888 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@@]1(O)CCOC1)OCO2 ZINC000229638003 333307111 /nfs/dbraw/zinc/30/71/11/333307111.db2.gz YPPRMTLWEPFFJL-ZDUSSCGKSA-N 1 0 267.281 0.362 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1COCCN1)OCO2 ZINC000530180540 333527205 /nfs/dbraw/zinc/52/72/05/333527205.db2.gz CFSVUEAUGOJGBF-JTQLQIEISA-N 1 0 266.297 0.199 20 10 CCCDRO COCC[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000061374523 523588618 /nfs/dbraw/zinc/58/86/18/523588618.db2.gz LUUHMWLEIAVNSI-UHFFFAOYSA-N 1 0 265.357 0.506 20 10 CCCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879839 524357132 /nfs/dbraw/zinc/35/71/32/524357132.db2.gz DQBMTEQFFMNNOT-LLVKDONJSA-N 1 0 294.351 0.931 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289912108 525348271 /nfs/dbraw/zinc/34/82/71/525348271.db2.gz RRVRAGUKXPQACW-UHFFFAOYSA-N 1 0 276.340 0.964 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000728565291 581364429 /nfs/dbraw/zinc/36/44/29/581364429.db2.gz SGUXJLOFWUQEHR-CYBMUJFWSA-N 1 0 295.291 0.495 20 10 CCCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1=CC(=O)CS1 ZINC000752662299 581511520 /nfs/dbraw/zinc/51/15/20/581511520.db2.gz SYSRQFNZCJNUPT-NSHDSACASA-N 1 0 258.343 0.496 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000770383159 581740555 /nfs/dbraw/zinc/74/05/55/581740555.db2.gz TYQRHRXEGOPFGK-VIFPVBQESA-N 1 0 265.313 0.643 20 10 CCCDRO COC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732672698 581841349 /nfs/dbraw/zinc/84/13/49/581841349.db2.gz XRJOMYYSKPYIOF-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCN(C)C2)cc1OC ZINC000762791279 581961883 /nfs/dbraw/zinc/96/18/83/581961883.db2.gz NHIZWMFQNBBDNA-OAHLLOKOSA-N 1 0 296.367 0.566 20 10 CCCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(N)=O ZINC000774485750 581976064 /nfs/dbraw/zinc/97/60/64/581976064.db2.gz UWAYVLAQCZAFMW-UWVGGRQHSA-N 1 0 278.356 0.987 20 10 CCCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N(C)C)CC2)c1O ZINC000775644947 582032629 /nfs/dbraw/zinc/03/26/29/582032629.db2.gz YJDWGVNNDFJDND-UHFFFAOYSA-N 1 0 291.395 0.906 20 10 CCCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000775697334 582034506 /nfs/dbraw/zinc/03/45/06/582034506.db2.gz ZMOWSJQABVEWSZ-LBPRGKRZSA-N 1 0 284.381 0.954 20 10 CCCDRO COc1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)c(O)c1 ZINC000841947415 617255150 /nfs/dbraw/zinc/25/51/50/617255150.db2.gz ORYDGJOFMAAOQP-GFCCVEGCSA-N 1 0 279.340 0.937 20 10 CCCDRO COc1ccc(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000876911207 617256164 /nfs/dbraw/zinc/25/61/64/617256164.db2.gz XOGQPQNJDGEAKU-ZWNOBZJWSA-N 1 0 282.315 0.965 20 10 CCCDRO COc1ccc(C[NH2+]Cc2cnn[nH]2)c(O)c1OC ZINC000895534148 617258785 /nfs/dbraw/zinc/25/87/85/617258785.db2.gz UFLRAKCLOCSIET-UHFFFAOYSA-N 1 0 264.285 0.817 20 10 CCCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1OC ZINC000892787619 617259090 /nfs/dbraw/zinc/25/90/90/617259090.db2.gz SVVZZLVMTBZSEC-SNVBAGLBSA-N 1 0 280.324 0.730 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C[NH3+])OC)c1 ZINC000828667528 617274130 /nfs/dbraw/zinc/27/41/30/617274130.db2.gz RWFIZSRBBUEAIY-ONGXEEELSA-N 1 0 282.340 0.942 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C[NH3+])OC)c1 ZINC000884310338 617274326 /nfs/dbraw/zinc/27/43/26/617274326.db2.gz VPDLJFQWGXHGNL-UFBFGSQYSA-N 1 0 268.313 0.552 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[NH2+]2)c1O ZINC000841936375 617299029 /nfs/dbraw/zinc/29/90/29/617299029.db2.gz HNNONHQIRUFOOO-LLVKDONJSA-N 1 0 279.340 0.952 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000835056401 617305163 /nfs/dbraw/zinc/30/51/63/617305163.db2.gz FUKMJBVFHINWHZ-FZMZJTMJSA-N 1 0 292.335 0.490 20 10 CCCDRO CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]C1 ZINC000827567212 614465850 /nfs/dbraw/zinc/46/58/50/614465850.db2.gz CXKPFKJSMYRDSO-UHFFFAOYSA-N 1 0 289.379 0.749 20 10 CCCDRO CC[NH+]1CCN(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871203087 615154911 /nfs/dbraw/zinc/15/49/11/615154911.db2.gz RSEWQKXXSWGQPP-UHFFFAOYSA-N 1 0 289.379 0.872 20 10 CCCDRO CCOc1ccc(C[NH+](CCO)CCO)c(O)c1 ZINC000862430183 615510209 /nfs/dbraw/zinc/51/02/09/615510209.db2.gz QLFLPOUHPCLULC-UHFFFAOYSA-N 1 0 255.314 0.578 20 10 CCCDRO CCOc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c(O)c1 ZINC000858298322 615511168 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C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCNC1=O ZINC000897872368 633250032 /nfs/dbraw/zinc/25/00/32/633250032.db2.gz SWRONBGSYBBLNN-ZDUSSCGKSA-N 1 0 264.281 0.489 20 10 CCCDRO C[C@H](O)[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929184145 633455398 /nfs/dbraw/zinc/45/53/98/633455398.db2.gz CFLBCJYQDBAVJN-XJKSGUPXSA-N 1 0 294.395 0.697 20 10 CCCDRO O[C@@H]1COCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824620428 641835557 /nfs/dbraw/zinc/83/55/57/641835557.db2.gz ODJLYMJFXNAWDT-INIZCTEOSA-N 1 0 292.379 0.716 20 10 CCCDRO C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)C[NH3+] ZINC000841094647 642802958 /nfs/dbraw/zinc/80/29/58/642802958.db2.gz ZWQPZYSUWMNOEJ-VIFPVBQESA-N 1 0 289.173 0.906 20 10 CCCDRO Nc1ccc(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000843341299 643034044 /nfs/dbraw/zinc/03/40/44/643034044.db2.gz AWYYRQFEEORRBZ-CQSZACIVSA-N 1 0 277.368 0.696 20 10 CCCDRO C[C@@H]1C[NH2+]CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844217096 643182914 /nfs/dbraw/zinc/18/29/14/643182914.db2.gz BTYVPZKKDDBZJG-CYBMUJFWSA-N 1 0 290.411 0.663 20 10 CCCDRO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844226868 643186839 /nfs/dbraw/zinc/18/68/39/643186839.db2.gz RKXFCOBWFOFSBO-WFASDCNBSA-N 1 0 290.411 0.790 20 10 CCCDRO C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(N)[nH+]c(N)n1 ZINC000858476742 644624848 /nfs/dbraw/zinc/62/48/48/644624848.db2.gz NVRXPRYOVNZJFU-LURJTMIESA-N 1 0 276.300 0.490 20 10 CCCDRO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O ZINC000858569154 644636509 /nfs/dbraw/zinc/63/65/09/644636509.db2.gz AIRICZWEDHLZBQ-SNVBAGLBSA-N 1 0 299.396 0.533 20 10 CCCDRO Nc1ccc(CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000861639862 644900960 /nfs/dbraw/zinc/90/09/60/644900960.db2.gz HVNNBRSUEYKTPQ-AWEZNQCLSA-N 1 0 292.383 0.177 20 10 CCCDRO O=C(NC[C@@H]1COCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000864059081 645156166 /nfs/dbraw/zinc/15/61/66/645156166.db2.gz XQGBOGAKQBKFRF-LLVKDONJSA-N 1 0 277.324 0.406 20 10 CCCDRO O=S(=O)(NCCCSc1nccs1)C1C[NH2+]C1 ZINC000923608947 645872190 /nfs/dbraw/zinc/87/21/90/645872190.db2.gz 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COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2CC2)cc1C ZINC001278032987 806622972 /nfs/dbraw/zinc/62/29/72/806622972.db2.gz DZBZFRPXAOHGED-CQSZACIVSA-N 1 0 292.379 0.980 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C2(C[NH3+])CC(O)C2)cc1 ZINC001121982358 799113918 /nfs/dbraw/zinc/11/39/18/799113918.db2.gz SCBHZASVASQWIR-UHFFFAOYSA-N 1 0 277.368 0.469 20 10 CCCDRO [NH3+]C[C@H](O)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924058 802047577 /nfs/dbraw/zinc/04/75/77/802047577.db2.gz ASSRSUMHNDOOHQ-LLVKDONJSA-N 1 0 280.324 0.082 20 10 CCCDRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924877 802048011 /nfs/dbraw/zinc/04/80/11/802048011.db2.gz REVAAIBKFDPHGF-VXGBXAGGSA-N 1 0 292.335 0.095 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc2c3c(ccnc13)CCO2 ZINC001163836662 802622602 /nfs/dbraw/zinc/62/26/02/802622602.db2.gz YZXRZTHLQQUEOI-UHFFFAOYSA-N 1 0 273.336 0.927 20 10 CCCDRO COc1cc(CN2CCC[NH2+]CC2)c(O)cc1O ZINC001204675735 812360717 /nfs/dbraw/zinc/36/07/17/812360717.db2.gz VKLHUZXQJAMBAO-UHFFFAOYSA-N 1 0 252.314 0.902 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GYABLDLTSIBTGM-UHFFFAOYSA-N 1 0 292.335 0.462 20 10 CCCDRO Nc1ccc(CC(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001220321599 804572780 /nfs/dbraw/zinc/57/27/80/804572780.db2.gz WBYLBVXNAUKKBJ-GDBMZVCRSA-N 1 0 289.379 0.839 20 10 CCCDRO COC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000315100440 804582536 /nfs/dbraw/zinc/58/25/36/804582536.db2.gz HBLUXTSBIDTRGL-MRXNPFEDSA-N 1 0 291.395 0.995 20 10 CCCDRO O=C(CNC(=O)C1CC[NH2+]CC1)c1ccc(O)c(O)c1 ZINC001220490199 804613381 /nfs/dbraw/zinc/61/33/81/804613381.db2.gz WXUZFGBAUDFNTO-UHFFFAOYSA-N 1 0 278.308 0.396 20 10 CCCDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(O)c(O)c(O)c1 ZINC001220894828 804694899 /nfs/dbraw/zinc/69/48/99/804694899.db2.gz LSSRKVNRDDAKSI-MRVPVSSYSA-N 1 0 252.270 0.285 20 10 CCCDRO C[N@@H+]1CCC12CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276830558 804904679 /nfs/dbraw/zinc/90/46/79/804904679.db2.gz OMBPUOHVCVNEPM-UHFFFAOYSA-N 1 0 250.298 0.693 20 10 CCCDRO COC(=O)Cc1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001249217631 807547354 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ZINC001262488073 809319749 /nfs/dbraw/zinc/31/97/49/809319749.db2.gz PFBYQQHITYPPLG-UHFFFAOYSA-N 1 0 250.342 0.836 20 10 CCCDRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N)cc1 ZINC001262603684 809372073 /nfs/dbraw/zinc/37/20/73/809372073.db2.gz RPRNGYHZCGQAFV-UHFFFAOYSA-N 1 0 280.372 0.646 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)c(OC)c1 ZINC001141031443 811672514 /nfs/dbraw/zinc/67/25/14/811672514.db2.gz DXKXMWSYJYHLIU-JTQLQIEISA-N 1 0 283.324 0.603 20 10 CCCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCN1C ZINC001231593857 816026276 /nfs/dbraw/zinc/02/62/76/816026276.db2.gz LZEHGSQIVXAALN-ZDUSSCGKSA-N 1 0 278.352 0.990 20 10 CCCDRO CN1C[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)OCC1=O ZINC001272386861 816379638 /nfs/dbraw/zinc/37/96/38/816379638.db2.gz OQXBSZGCSOEKQJ-HNNXBMFYSA-N 1 0 292.335 0.531 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(O)ccc(F)c2F)C[C@@H]1[NH3+] ZINC001236360967 817285487 /nfs/dbraw/zinc/28/54/87/817285487.db2.gz WDAHHJOQRMCJCI-XVKPBYJWSA-N 1 0 286.278 0.603 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001237046338 817443094 /nfs/dbraw/zinc/44/30/94/817443094.db2.gz AHQPLJHDHZOTRI-SMDDNHRTSA-N 1 0 267.325 0.576 20 10 CCCDRO CN1CC[C@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000702594067 819148111 /nfs/dbraw/zinc/14/81/11/819148111.db2.gz SLIZZDZBANUHDN-ZDUSSCGKSA-N 1 0 254.305 0.688 20 10 CCCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499836 840067788 /nfs/dbraw/zinc/06/77/88/840067788.db2.gz LDIMKAGCAAHJEI-VIFPVBQESA-N 1 0 252.270 0.253 20 10 CCCDRO COC(=O)[C@H](C)N(C)Cc1c(O)cc(O)cc1O ZINC001144514771 840073775 /nfs/dbraw/zinc/07/37/75/840073775.db2.gz RKUUMZNEIZZCAU-ZETCQYMHSA-N 1 0 255.270 0.797 20 10 CCCDRO CCN1CCN(Cc2c(O)cc(O)cc2O)CC1=O ZINC001144514945 840074750 /nfs/dbraw/zinc/07/47/50/840074750.db2.gz YMDWTWIPNMYFQK-UHFFFAOYSA-N 1 0 266.297 0.468 20 10 CCCDRO O=C1COCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204276611 843249458 /nfs/dbraw/zinc/24/94/58/843249458.db2.gz OQYZLQVZLMVBFT-UHFFFAOYSA-N 1 0 292.335 0.579 20 10 CCCDRO CN1CCOc2cc(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205958981 848062674 /nfs/dbraw/zinc/06/26/74/848062674.db2.gz JJSWVCHCNPIWMO-TZMCWYRMSA-N 1 0 277.368 0.409 20 10 CCCDRO CCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252771925 848072872 /nfs/dbraw/zinc/07/28/72/848072872.db2.gz XEQVHNOLHXNXOJ-GXFFZTMASA-N 1 0 255.314 0.882 20 10 CCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[NH2+]1 ZINC000384743881 853875467 /nfs/dbraw/zinc/87/54/67/853875467.db2.gz HFRWKKLCSZKABG-OAHLLOKOSA-N 1 0 289.379 0.844 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CC(=O)N(C)OC)c1 ZINC000397549456 854432446 /nfs/dbraw/zinc/43/24/46/854432446.db2.gz SEABBGOVWBDVGF-UHFFFAOYSA-N 1 0 254.286 0.510 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000697288894 855616692 /nfs/dbraw/zinc/61/66/92/855616692.db2.gz CYVHZWRRRUAAEK-RYUDHWBXSA-N 1 0 285.365 0.602 20 10 CCCDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC001119420110 856675332 /nfs/dbraw/zinc/67/53/32/856675332.db2.gz CJBIBHSCOJRAKX-NSHDSACASA-N 1 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/nfs/dbraw/zinc/30/20/33/923302033.db2.gz DNBPOXSNCXZWKQ-HZMBPMFUSA-N 1 0 297.374 0.724 20 10 CCCDRO COC[C@]1(C(=O)NCc2ccc(N)cc2)CC[NH2+]C1 ZINC001346209204 924112021 /nfs/dbraw/zinc/11/20/21/924112021.db2.gz FRJDDNOLVLUYQL-AWEZNQCLSA-N 1 0 263.341 0.511 20 10 CCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1c(O)cccc1F ZINC001349385464 924945396 /nfs/dbraw/zinc/94/53/96/924945396.db2.gz ZRCHDHWOSIFTHX-GXFFZTMASA-N 1 0 293.342 0.536 20 10 CCCDRO C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)c1ccccc1O ZINC001350225783 925152332 /nfs/dbraw/zinc/15/23/32/925152332.db2.gz XNQGRODJTIIQIN-SGMGOOAPSA-N 1 0 289.379 0.958 20 10 CCCDRO C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC001352056139 925517661 /nfs/dbraw/zinc/51/76/61/925517661.db2.gz VKEILDORCGALIB-PWSUYJOCSA-N 1 0 291.351 0.438 20 10 CCCDRO CCOc1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000093483636 349544000 /nfs/dbraw/zinc/54/40/00/349544000.db2.gz LGHHLGZVCPIWRA-PHIMTYICSA-N 1 0 253.298 0.328 20 10 CCCDRO CN1CCN(C)[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000272438532 353064046 /nfs/dbraw/zinc/06/40/46/353064046.db2.gz OIWAIJGGMBFQMQ-CYBMUJFWSA-N 1 0 267.348 0.867 20 10 CCCDRO CC[N@H+](CCOCCO)Cc1cc2c(cc1O)OCO2 ZINC000282788432 353451694 /nfs/dbraw/zinc/45/16/94/353451694.db2.gz QWIIBTRIWCYBIK-UHFFFAOYSA-N 1 0 283.324 0.952 20 10 CCCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000285815784 353561773 /nfs/dbraw/zinc/56/17/73/353561773.db2.gz SIEYTHZZKNTDEX-LBPRGKRZSA-N 1 0 277.368 0.734 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1OC ZINC000289191064 353687717 /nfs/dbraw/zinc/68/77/17/353687717.db2.gz AVUSUNZPHWRPQM-ZYHUDNBSSA-N 1 0 283.324 0.601 20 10 CCCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000294699014 199140878 /nfs/dbraw/zinc/14/08/78/199140878.db2.gz CWSBDOUNYFDYIB-LBPRGKRZSA-N 1 0 267.325 0.984 20 10 CCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000373226890 389466654 /nfs/dbraw/zinc/46/66/54/389466654.db2.gz DFHJRVXELNTAIU-LBPRGKRZSA-N 1 0 284.381 0.824 20 10 CCCDRO COCC[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000281140828 389608547 /nfs/dbraw/zinc/60/85/47/389608547.db2.gz DSMRTVZEGKSADD-LLVKDONJSA-N 1 0 285.340 0.896 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000376168097 389730662 /nfs/dbraw/zinc/73/06/62/389730662.db2.gz VBVFVWNMHQXCPZ-LLVKDONJSA-N 1 0 288.344 0.655 20 10 CCCDRO COc1cccc(CN(C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000038030909 174023436 /nfs/dbraw/zinc/02/34/36/174023436.db2.gz FHXAIQYPTWODRW-UHFFFAOYSA-N 1 0 293.367 0.264 20 10 CCCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000237931350 328010726 /nfs/dbraw/zinc/01/07/26/328010726.db2.gz UXDWFGSLAGDABP-UHFFFAOYSA-N 1 0 275.352 0.631 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)COC1C[NH2+]C1 ZINC000431014319 330577786 /nfs/dbraw/zinc/57/77/86/330577786.db2.gz IXFYQYJUAHGOET-UHFFFAOYSA-N 1 0 291.351 0.466 20 10 CCCDRO CCCOc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(O)c1 ZINC000278299927 520352983 /nfs/dbraw/zinc/35/29/83/520352983.db2.gz DHOYTFUORPLGIB-KBPBESRZSA-N 1 0 267.325 0.718 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000276620922 520902732 /nfs/dbraw/zinc/90/27/32/520902732.db2.gz JBGIDHOXBLLNBE-HUUCEWRRSA-N 1 0 291.395 0.872 20 10 CCCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000291447093 521962510 /nfs/dbraw/zinc/96/25/10/521962510.db2.gz LIJMJPUPAYTUGI-UHFFFAOYSA-N 1 0 291.348 0.017 20 10 CCCDRO OCc1cn(CCC[NH2+]Cc2ccccc2O)nn1 ZINC000289686543 527639827 /nfs/dbraw/zinc/63/98/27/527639827.db2.gz CQJCPOSAVXCDPU-UHFFFAOYSA-N 1 0 262.313 0.656 20 10 CCCDRO CN1CC(=O)N[C@@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771518603 581806062 /nfs/dbraw/zinc/80/60/62/581806062.db2.gz SJRPDDXAFODIQK-HNNXBMFYSA-N 1 0 274.368 0.499 20 10 CCCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000895054711 617175898 /nfs/dbraw/zinc/17/58/98/617175898.db2.gz AKRJFPNYIRNNGL-NSHDSACASA-N 1 0 292.335 0.946 20 10 CCCDRO COc1ccc(N2CCN(C(=O)CC[NH3+])CC2)cc1 ZINC000007275580 617267759 /nfs/dbraw/zinc/26/77/59/617267759.db2.gz ODCJIWJGRKTIJU-UHFFFAOYSA-N 1 0 263.341 0.693 20 10 CCCDRO COc1ccc(O)c([C@H](C)Nc2nc(N)[nH+]c(N)n2)c1 ZINC000858391485 617274406 /nfs/dbraw/zinc/27/44/06/617274406.db2.gz JDCIUIWTCNTGJZ-LURJTMIESA-N 1 0 276.300 0.923 20 10 CCCDRO COc1ccc(O)c(C[NH+]2CCC(O)(CO)CC2)c1 ZINC000827147680 617272478 /nfs/dbraw/zinc/27/24/78/617272478.db2.gz VLVSSFZXSPWKMT-UHFFFAOYSA-N 1 0 267.325 0.720 20 10 CCCDRO COc1cccc(CNC(=O)NCCOCCC[NH3+])c1O ZINC000861692665 617298670 /nfs/dbraw/zinc/29/86/70/617298670.db2.gz GMRIWZPBAYLHBT-UHFFFAOYSA-N 1 0 297.355 0.565 20 10 CCCDRO COc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1O ZINC000019899965 617300455 /nfs/dbraw/zinc/30/04/55/617300455.db2.gz DGDDSZPFZRSTIJ-SNVBAGLBSA-N 1 0 271.338 0.678 20 10 CCCDRO COc1cccc(O)c1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058075 617305364 /nfs/dbraw/zinc/30/53/64/617305364.db2.gz OJUHTLGKWZOERF-QMTHXVAHSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1cccc(O)c1CN1CCO[C@@H](C[NH3+])C1 ZINC000843070515 617305418 /nfs/dbraw/zinc/30/54/18/617305418.db2.gz UVJRGCWDFYIQTJ-JTQLQIEISA-N 1 0 252.314 0.560 20 10 CCCDRO CC(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281114 613711723 /nfs/dbraw/zinc/71/17/23/613711723.db2.gz SGHRLDSPEXNIHG-CYBMUJFWSA-N 1 0 278.356 0.005 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842257304 614586329 /nfs/dbraw/zinc/58/63/29/614586329.db2.gz GFNPGZVICMOOKF-NSHDSACASA-N 1 0 293.367 0.594 20 10 CCCDRO CCN(CC)c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000852860872 615013449 /nfs/dbraw/zinc/01/34/49/615013449.db2.gz XEBXRBJHHLBFGT-UHFFFAOYSA-N 1 0 277.368 0.483 20 10 CCCDRO CC[NH2+]CCNC(=O)NCc1ccc(OC)cc1O ZINC000841935789 615086960 /nfs/dbraw/zinc/08/69/60/615086960.db2.gz ZEDBOBPOWKBXTH-UHFFFAOYSA-N 1 0 267.329 0.810 20 10 CCCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[NH+](C)C ZINC000819696363 615190401 /nfs/dbraw/zinc/19/04/01/615190401.db2.gz QZLZJEJDJYSWPX-UHFFFAOYSA-N 1 0 294.351 0.846 20 10 CCCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749928 615682898 /nfs/dbraw/zinc/68/28/98/615682898.db2.gz CCAIXNLOZJMYHG-OLZOCXBDSA-N 1 0 251.326 0.882 20 10 CCCDRO C[NH+](C)CCOCCNC(=O)NCc1c(O)cccc1F ZINC000922145249 615905852 /nfs/dbraw/zinc/90/58/52/615905852.db2.gz RSNUNSPNAVXPTP-UHFFFAOYSA-N 1 0 299.346 0.909 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000841654763 616014918 /nfs/dbraw/zinc/01/49/18/616014918.db2.gz PGIMLQAKQATYTC-LBPRGKRZSA-N 1 0 262.357 0.995 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905024965 616016033 /nfs/dbraw/zinc/01/60/33/616016033.db2.gz LEEFUHFJGRKXCE-HOTGVXAUSA-N 1 0 294.395 0.745 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCCN2)cc1F ZINC000863485957 616016075 /nfs/dbraw/zinc/01/60/75/616016075.db2.gz SXCCTBLQQVIWFE-LBPRGKRZSA-N 1 0 267.348 0.970 20 10 CCCDRO CN(C)c1ccc([C@H](CNC(=O)CCO)[NH+](C)C)cc1 ZINC000903044556 616019356 /nfs/dbraw/zinc/01/93/56/616019356.db2.gz AQZLTIRTJBDPHZ-AWEZNQCLSA-N 1 0 279.384 0.854 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(N)CC2(F)F)cc1 ZINC000870932956 616019374 /nfs/dbraw/zinc/01/93/74/616019374.db2.gz MSWDUOIUMJZJRR-WCQYABFASA-N 1 0 298.337 0.605 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@H](O)C2)cc1 ZINC000876507278 616019675 /nfs/dbraw/zinc/01/96/75/616019675.db2.gz ZSOHLKRHYNMPBH-KWCYVHTRSA-N 1 0 277.368 0.640 20 10 CCCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]([NH3+])CO ZINC000911634055 616167144 /nfs/dbraw/zinc/16/71/44/616167144.db2.gz YMQKQUPHYHOULN-OAHLLOKOSA-N 1 0 291.395 0.955 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)NCC[NH3+])cc1 ZINC000841921571 616167276 /nfs/dbraw/zinc/16/72/76/616167276.db2.gz RCJQELDGZBVGNN-UHFFFAOYSA-N 1 0 250.346 0.853 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852816755 616170688 /nfs/dbraw/zinc/17/06/88/616170688.db2.gz FIJJSMAEXVNQRH-YPMHNXCESA-N 1 0 264.325 0.714 20 10 CCCDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000906784535 616276130 /nfs/dbraw/zinc/27/61/30/616276130.db2.gz CJHJBLDXUYOCGU-LLVKDONJSA-N 1 0 262.313 0.028 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(O)cccc2OC)C1 ZINC000843433618 616707169 /nfs/dbraw/zinc/70/71/69/616707169.db2.gz AWZIAPYGWWJDQJ-WDEREUQCSA-N 1 0 295.335 0.757 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000895703316 616785804 /nfs/dbraw/zinc/78/58/04/616785804.db2.gz KZZCQVNJMCJIEL-AWEZNQCLSA-N 1 0 265.309 0.810 20 10 CCCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000846052259 616813954 /nfs/dbraw/zinc/81/39/54/616813954.db2.gz DKSRCFATDXJIOW-VXGBXAGGSA-N 1 0 267.325 0.982 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877625568 616832987 /nfs/dbraw/zinc/83/29/87/616832987.db2.gz POZMVJAJHXSVBY-DGCLKSJQSA-N 1 0 285.365 0.602 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CNCCO2)c1 ZINC000817981973 616918100 /nfs/dbraw/zinc/91/81/00/616918100.db2.gz AKPPKWYACMJAPP-CMPLNLGQSA-N 1 0 294.351 0.818 20 10 CCCDRO C[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227503 616936571 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COc1cc(C(=O)N[C@H]2CC[NH2+]C2)cc(O)c1O ZINC001193113809 845982908 /nfs/dbraw/zinc/98/29/08/845982908.db2.gz DDTBPDAYTLSFPP-QMMMGPOBSA-N 1 0 252.270 0.198 20 10 CCCDRO CCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252771936 848072877 /nfs/dbraw/zinc/07/28/77/848072877.db2.gz XEQVHNOLHXNXOJ-MFKMUULPSA-N 1 0 255.314 0.882 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)[C@H](C)O)c1 ZINC000717289924 848218023 /nfs/dbraw/zinc/21/80/23/848218023.db2.gz ZFONIUDLZMXOND-MWODSPESSA-N 1 0 255.314 0.793 20 10 CCCDRO CN1C[C@@H]2CN(Cc3ccc(O)cc3O)C[C@H](C1)O2 ZINC001275949780 848872420 /nfs/dbraw/zinc/87/24/20/848872420.db2.gz JQRPCQKSIVRKEH-BETUJISGSA-N 1 0 264.325 0.613 20 10 CCCDRO C[NH+](C)CCN1CCC12CN(Cc1ccc(O)cc1O)C2 ZINC001275953230 848872590 /nfs/dbraw/zinc/87/25/90/848872590.db2.gz UZIYWSKJWIGPHP-UHFFFAOYSA-N 1 0 291.395 0.920 20 10 CCCDRO C[NH+]1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000037759482 849247329 /nfs/dbraw/zinc/24/73/29/849247329.db2.gz GRVLCWXAQQRKBS-UHFFFAOYSA-N 1 0 276.384 0.175 20 10 CCCDRO CN1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001255419704 853861911 /nfs/dbraw/zinc/86/19/11/853861911.db2.gz DHEVSZFTGULVRA-JTQLQIEISA-N 1 0 250.298 0.574 20 10 CCCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC001325744294 913557367 /nfs/dbraw/zinc/55/73/67/913557367.db2.gz UFJQPYGFTPZTJL-NSHDSACASA-N 1 0 291.351 0.171 20 10 CCCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]32)c(OC)c1 ZINC001236290258 903977376 /nfs/dbraw/zinc/97/73/76/903977376.db2.gz SDAGPALQPVAGPG-BXKDBHETSA-N 1 0 264.325 0.813 20 10 CCCDRO O=C(C[NH+]1CCC(CO)CC1)N1Cc2cccc(O)c2C1 ZINC001337397202 921245580 /nfs/dbraw/zinc/24/55/80/921245580.db2.gz SLPPBCYXRSVAPM-UHFFFAOYSA-N 1 0 290.363 0.939 20 10 CCCDRO COc1cc(C)c(C[NH2+]CC(=O)N2CCCO2)c(O)c1 ZINC001474747049 910540786 /nfs/dbraw/zinc/54/07/86/910540786.db2.gz NNDBATMJHGOWSJ-UHFFFAOYSA-N 1 0 280.324 0.963 20 10 CCCDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332001023 917795828 /nfs/dbraw/zinc/79/58/28/917795828.db2.gz PWYMDKSIDNTZQA-NSHDSACASA-N 1 0 289.335 0.184 20 10 CCCDRO CN1CCN(c2ccc(C[NH2+]CCCON)cc2F)CC1 ZINC001336285088 920702033 /nfs/dbraw/zinc/70/20/33/920702033.db2.gz HWDXVYIVYBPZQN-UHFFFAOYSA-N 1 0 296.390 0.948 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cc1 ZINC001340735743 922191072 /nfs/dbraw/zinc/19/10/72/922191072.db2.gz PLTCFPQGLNOMBN-LBPRGKRZSA-N 1 0 261.325 0.058 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)c1ccc(N)cc1 ZINC001340847470 922241381 /nfs/dbraw/zinc/24/13/81/922241381.db2.gz KFDWDGYELKHCSA-BXUZGUMPSA-N 1 0 274.368 0.620 20 10 CCCDRO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)c1ccccc1O ZINC001342307918 922900367 /nfs/dbraw/zinc/90/03/67/922900367.db2.gz SGPLMEKCNRGVEV-GZMMTYOYSA-N 1 0 252.314 0.668 20 10 CCCDRO COC[C@]1(C(=O)NCc2c(O)cccc2F)C[NH2+]CCO1 ZINC001342535527 922993680 /nfs/dbraw/zinc/99/36/80/922993680.db2.gz JFIJBQHANSQZEM-AWEZNQCLSA-N 1 0 298.314 0.153 20 10 CCCDRO Nc1ccc(NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1 ZINC001343022644 923168650 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ZINC000530181951 390875831 /nfs/dbraw/zinc/87/58/31/390875831.db2.gz QVCUXNVIPUUESZ-LLVKDONJSA-N 1 0 252.314 0.479 20 10 CCCDRO CCOc1cccc(C[NH2+]CCNS(C)(=O)=O)c1O ZINC000020203183 171067675 /nfs/dbraw/zinc/06/76/75/171067675.db2.gz XMRBXJRPLGXXAZ-UHFFFAOYSA-N 1 0 288.369 0.430 20 10 CCCDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(F)ccc1O ZINC000185200950 262046478 /nfs/dbraw/zinc/04/64/78/262046478.db2.gz VERGMEDFWCOINW-QMMMGPOBSA-N 1 0 281.287 0.734 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000377224282 268057546 /nfs/dbraw/zinc/05/75/46/268057546.db2.gz NIWGJRFICDHBBZ-TZMCWYRMSA-N 1 0 292.335 0.490 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000290100073 277278691 /nfs/dbraw/zinc/27/86/91/277278691.db2.gz JXMDSATWBGFJPR-ZDUSSCGKSA-N 1 0 279.340 0.452 20 10 CCCDRO Nc1ccc(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000377563509 329019108 /nfs/dbraw/zinc/01/91/08/329019108.db2.gz NIYRBSYISKNPPP-OAHLLOKOSA-N 1 0 288.395 0.317 20 10 CCCDRO COc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1C ZINC000230991838 333323365 /nfs/dbraw/zinc/32/33/65/333323365.db2.gz NZMRAQSGZAEWAF-UHFFFAOYSA-N 1 0 286.397 0.985 20 10 CCCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278242785 521868947 /nfs/dbraw/zinc/86/89/47/521868947.db2.gz OBPIFXUXXDATAB-SECBINFHSA-N 1 0 295.295 0.616 20 10 CCCDRO COCCN1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000264618442 523874399 /nfs/dbraw/zinc/87/43/99/523874399.db2.gz RBLJKRKVBSBZRK-LBPRGKRZSA-N 1 0 294.351 0.931 20 10 CCCDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000779017637 581172804 /nfs/dbraw/zinc/17/28/04/581172804.db2.gz JKDIHHZTTRMNEM-NSHDSACASA-N 1 0 270.354 0.645 20 10 CCCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000779030912 581173248 /nfs/dbraw/zinc/17/32/48/581173248.db2.gz PSYXHDGVHLZBPC-LBPRGKRZSA-N 1 0 284.381 0.906 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000770383158 581740865 /nfs/dbraw/zinc/74/08/65/581740865.db2.gz TYQRHRXEGOPFGK-SECBINFHSA-N 1 0 265.313 0.643 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000775717886 582034902 /nfs/dbraw/zinc/03/49/02/582034902.db2.gz TVWIGKQVMHBMFZ-ZFWWWQNUSA-N 1 0 278.352 0.916 20 10 CCCDRO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000775838335 582042002 /nfs/dbraw/zinc/04/20/02/582042002.db2.gz XDGBGDZGAIINPO-VIFPVBQESA-N 1 0 264.329 0.598 20 10 CCCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000894358020 617175637 /nfs/dbraw/zinc/17/56/37/617175637.db2.gz BJSCPRSVSIIUPB-AWEZNQCLSA-N 1 0 267.325 0.950 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000895014700 617175689 /nfs/dbraw/zinc/17/56/89/617175689.db2.gz MBKKXWNEUCJBNU-STQMWFEESA-N 1 0 281.352 0.884 20 10 CCCDRO COc1cc(O)c(C[NH2+]CCN2CC[C@@H](O)C2)cc1OC ZINC000862531173 617207790 /nfs/dbraw/zinc/20/77/90/617207790.db2.gz COZVDGGJSJMMMX-GFCCVEGCSA-N 1 0 296.367 0.566 20 10 CCCDRO COc1cc(O)c(C[NH2+]CCN2CCNC2=O)cc1OC ZINC000895814584 617207798 /nfs/dbraw/zinc/20/77/98/617207798.db2.gz PVBYQLFNIYKREJ-UHFFFAOYSA-N 1 0 295.339 0.524 20 10 CCCDRO COc1cc(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843058776 617207860 /nfs/dbraw/zinc/20/78/60/617207860.db2.gz YCCJWNJJWWLTAU-MEBBXXQBSA-N 1 0 296.367 0.957 20 10 CCCDRO COc1ccc(C[N@H+](C)[C@H]2CCNC2=O)c(O)c1OC ZINC000892242818 617248599 /nfs/dbraw/zinc/24/85/99/617248599.db2.gz VVPRDFOPBAGYPR-JTQLQIEISA-N 1 0 280.324 0.730 20 10 CCCDRO COc1ccc(CN[C@@]2(C(N)=O)CCOC2)cc1C ZINC000930888976 617259801 /nfs/dbraw/zinc/25/98/01/617259801.db2.gz DFVWQGLUNYWXTM-AWEZNQCLSA-N 1 0 264.325 0.738 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C2)cc1 ZINC000851639374 617267927 /nfs/dbraw/zinc/26/79/27/617267927.db2.gz DTBMRTMODGYPOT-NWDGAFQWSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[NH3+])C2)cc1 ZINC000851665446 617268117 /nfs/dbraw/zinc/26/81/17/617268117.db2.gz BDRMPQHYRXCSFA-RYUDHWBXSA-N 1 0 292.383 0.920 20 10 CCCDRO COc1cccc(O)c1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904402941 617305110 /nfs/dbraw/zinc/30/51/10/617305110.db2.gz XGMKZJFBKJLEBQ-AWEZNQCLSA-N 1 0 266.341 0.686 20 10 CCCDRO CC(C)OC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000851632492 614034438 /nfs/dbraw/zinc/03/44/38/614034438.db2.gz QRQYDJFRWFGMJA-ZDUSSCGKSA-N 1 0 265.357 0.680 20 10 CCCDRO CCN(C)c1ccc(Cn2cc([C@@H]([NH3+])CO)nn2)cc1 ZINC000881314055 614920988 /nfs/dbraw/zinc/92/09/88/614920988.db2.gz ZOZKKZVVVFFJGF-ZDUSSCGKSA-N 1 0 275.356 0.775 20 10 CCCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839171596 614921328 /nfs/dbraw/zinc/92/13/28/614921328.db2.gz HWYQVHCMWRBTSR-DZGCQCFKSA-N 1 0 264.369 0.928 20 10 CCCDRO CCO[C@H](CNC(=O)c1cccc(O)c1O)C[NH+](C)C ZINC000831724824 615483445 /nfs/dbraw/zinc/48/34/45/615483445.db2.gz SNTCVBZGMJDGHE-SNVBAGLBSA-N 1 0 282.340 0.794 20 10 CCCDRO CCc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877763557 615682973 /nfs/dbraw/zinc/68/29/73/615682973.db2.gz BRCIYUIISVPMOS-OKILXGFUSA-N 1 0 265.353 0.987 20 10 CCCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)c1O ZINC000848902569 615683122 /nfs/dbraw/zinc/68/31/22/615683122.db2.gz PSFJUMVKNJZYTG-CYBMUJFWSA-N 1 0 278.352 0.901 20 10 CCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)CO)cc1 ZINC000835045154 616011382 /nfs/dbraw/zinc/01/13/82/616011382.db2.gz KDYOTWWVHPYFLJ-RDFMZFSFSA-N 1 0 250.342 0.709 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NCCOCCC[NH3+])cc1 ZINC000861549706 616014756 /nfs/dbraw/zinc/01/47/56/616014756.db2.gz OKJREEBORWDQGH-UHFFFAOYSA-N 1 0 294.399 0.917 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905024964 616015954 /nfs/dbraw/zinc/01/59/54/616015954.db2.gz LEEFUHFJGRKXCE-CVEARBPZSA-N 1 0 294.395 0.745 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc1 ZINC000905024092 616016100 /nfs/dbraw/zinc/01/61/00/616016100.db2.gz IBMUGGDOURQITA-HNNXBMFYSA-N 1 0 294.395 0.745 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cncn2C)cc1 ZINC000832282468 616019330 /nfs/dbraw/zinc/01/93/30/616019330.db2.gz ZQPRDKQOQKXEIO-ZDUSSCGKSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(CCC[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000851662144 616074102 /nfs/dbraw/zinc/07/41/02/616074102.db2.gz ARJFQNDWCKASMA-UHFFFAOYSA-N 1 0 250.346 0.802 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C2C[NH2+]C2)cc1 ZINC000844223605 616166778 /nfs/dbraw/zinc/16/67/78/616166778.db2.gz CUDPFOQCZNBZKT-UHFFFAOYSA-N 1 0 290.411 0.615 20 10 CCCDRO CN1CCN(C(=O)NCCc2ccc(N)cc2)[C@@H](C[NH3+])C1 ZINC000841956183 616225664 /nfs/dbraw/zinc/22/56/64/616225664.db2.gz XTEUFBFNSHAHSY-AWEZNQCLSA-N 1 0 291.399 0.096 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000895705730 616561176 /nfs/dbraw/zinc/56/11/76/616561176.db2.gz BAPSCBMLKQXYMO-CQSZACIVSA-N 1 0 265.309 0.810 20 10 CCCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccccc2O)C1 ZINC000843434398 616707221 /nfs/dbraw/zinc/70/72/21/616707221.db2.gz KRZDHDXHOKHEQT-NWDGAFQWSA-N 1 0 265.309 0.748 20 10 CCCDRO COC(=O)[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000808743454 616756863 /nfs/dbraw/zinc/75/68/63/616756863.db2.gz DDFUPVWMBHRCBM-YMTOWFKASA-N 1 0 283.324 0.975 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000895702967 616785875 /nfs/dbraw/zinc/78/58/75/616785875.db2.gz IFSHTRVPPIACRG-AWEZNQCLSA-N 1 0 281.308 0.511 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000863545470 616918517 /nfs/dbraw/zinc/91/85/17/616918517.db2.gz SKKGPPJFYVJZBA-ZYHUDNBSSA-N 1 0 294.351 0.818 20 10 CCCDRO COC[C@@H](O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894684625 616922518 /nfs/dbraw/zinc/92/25/18/616922518.db2.gz NMOTZAHOEYTOTD-NSHDSACASA-N 1 0 255.314 0.806 20 10 CCCDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035170 616943922 /nfs/dbraw/zinc/94/39/22/616943922.db2.gz DRCDUYOKZQUERM-UHFFFAOYSA-N 1 0 292.383 0.095 20 10 CCCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000052809730 623486801 /nfs/dbraw/zinc/48/68/01/623486801.db2.gz SKKOIKKDXGUDQH-ZDUSSCGKSA-N 1 0 265.357 0.733 20 10 CCCDRO COc1cccc(CN2CCO[C@H](C[NH3+])C2)c1O ZINC000164668185 623657524 /nfs/dbraw/zinc/65/75/24/623657524.db2.gz KMCMTPUKGXYXCD-LLVKDONJSA-N 1 0 252.314 0.560 20 10 CCCDRO O=S(=O)(CC[NH2+]Cc1ccccc1O)N1CCCC1 ZINC000311900935 623811076 /nfs/dbraw/zinc/81/10/76/623811076.db2.gz AZGVIINCZORXGL-UHFFFAOYSA-N 1 0 284.381 0.907 20 10 CCCDRO C[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248325 624792001 /nfs/dbraw/zinc/79/20/01/624792001.db2.gz KSOIMYMIXRJZTL-FZMZJTMJSA-N 1 0 279.384 0.852 20 10 CCCDRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(F)ccc1O ZINC000903278055 634549238 /nfs/dbraw/zinc/54/92/38/634549238.db2.gz CVWHFTFDWXTJER-XHDPSFHLSA-N 1 0 298.358 0.875 20 10 CCCDRO O=C(NCc1ccccc1O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896015966 632188247 /nfs/dbraw/zinc/18/82/47/632188247.db2.gz UUHNZMHDVCWVPC-CYBMUJFWSA-N 1 0 276.336 0.729 20 10 CCCDRO C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1C[N@H+](C)CCN1C ZINC000896550019 632280331 /nfs/dbraw/zinc/28/03/31/632280331.db2.gz WRQMYOUIAOMBMA-CMPLNLGQSA-N 1 0 293.367 0.462 20 10 CCCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000322806083 633355784 /nfs/dbraw/zinc/35/57/84/633355784.db2.gz SBRBDXLYYLCXJM-MRVPVSSYSA-N 1 0 266.297 0.735 20 10 CCCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000228414025 637057944 /nfs/dbraw/zinc/05/79/44/637057944.db2.gz CHEVMOYGEGYALH-ZDUSSCGKSA-N 1 0 269.341 0.896 20 10 CCCDRO [NH3+]CCN(CCO)Cc1cc(Br)ccc1O ZINC000841059709 642802473 /nfs/dbraw/zinc/80/24/73/642802473.db2.gz VPIWQOVSBQILSX-UHFFFAOYSA-N 1 0 289.173 0.908 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000846672279 643440240 /nfs/dbraw/zinc/44/02/40/643440240.db2.gz FVQWANXYRZDZJX-OAHLLOKOSA-N 1 0 292.427 0.956 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000850358377 643799011 /nfs/dbraw/zinc/79/90/11/643799011.db2.gz OHFOBUANRBAMII-HNNXBMFYSA-N 1 0 297.351 0.658 20 10 CCCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1COCCN1 ZINC000863482613 645098613 /nfs/dbraw/zinc/09/86/13/645098613.db2.gz FWCJSVIPVYQRTP-OAHLLOKOSA-N 1 0 291.395 0.601 20 10 CCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865738684 645406835 /nfs/dbraw/zinc/40/68/35/645406835.db2.gz JEHIWPDTOMGKEB-TVQRCGJNSA-N 1 0 256.321 0.723 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCNS(C)(=O)=O ZINC000876876129 646688441 /nfs/dbraw/zinc/68/84/41/646688441.db2.gz KYHNOXLFVPGDBY-UHFFFAOYSA-N 1 0 258.343 0.339 20 10 CCCDRO OCCOCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876889938 646690988 /nfs/dbraw/zinc/69/09/88/646690988.db2.gz RIEZNHMUVAQMAM-UHFFFAOYSA-N 1 0 294.395 0.746 20 10 CCCDRO OCC1(CO)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000877798153 646845548 /nfs/dbraw/zinc/84/55/48/646845548.db2.gz ZHLDFMCEBKQPCP-UHFFFAOYSA-N 1 0 295.335 0.688 20 10 CCCDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000879651985 647089920 /nfs/dbraw/zinc/08/99/20/647089920.db2.gz SDMGTEBLEYZMGX-QWRGUYRKSA-N 1 0 293.367 0.636 20 10 CCCDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883108260 647490239 /nfs/dbraw/zinc/49/02/39/647490239.db2.gz BBNBROGEZSNYTL-INIZCTEOSA-N 1 0 294.395 0.481 20 10 CCCDRO C[C@](O)(CO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883108261 647490591 /nfs/dbraw/zinc/49/05/91/647490591.db2.gz BBNBROGEZSNYTL-MRXNPFEDSA-N 1 0 294.395 0.481 20 10 CCCDRO CC[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000188073378 649340671 /nfs/dbraw/zinc/34/06/71/649340671.db2.gz UXBDFRXVXLKSSU-UHFFFAOYSA-N 1 0 277.368 0.830 20 10 CCCDRO CCOc1cccc(C[NH2+]C2(C(N)=O)CC2)c1O ZINC000191488734 649479845 /nfs/dbraw/zinc/47/98/45/649479845.db2.gz DALVVYMVICVHNA-UHFFFAOYSA-N 1 0 250.298 0.898 20 10 CCCDRO O=C1CC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N1 ZINC000079927032 649528597 /nfs/dbraw/zinc/52/85/97/649528597.db2.gz UXPXECUBTTVNBE-VIFPVBQESA-N 1 0 264.281 0.489 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000090025003 649666362 /nfs/dbraw/zinc/66/63/62/649666362.db2.gz YFVFRRXSFAIDNP-CYBMUJFWSA-N 1 0 275.352 0.990 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)cc1O ZINC001231639580 805825862 /nfs/dbraw/zinc/82/58/62/805825862.db2.gz VEHULRFOYPFBCF-NSHDSACASA-N 1 0 280.324 0.817 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233014798 806006232 /nfs/dbraw/zinc/00/62/32/806006232.db2.gz CHDRILYUWZOZHO-NSHDSACASA-N 1 0 282.340 0.566 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1O ZINC001233482950 806059033 /nfs/dbraw/zinc/05/90/33/806059033.db2.gz IMWIXWMDCKSDPE-ZIAGYGMSSA-N 1 0 283.324 0.369 20 10 CCCDRO C[C@@]1(O)COCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483005 806059349 /nfs/dbraw/zinc/05/93/49/806059349.db2.gz KPUGYUPLRGFMEH-ZDUSSCGKSA-N 1 0 269.297 0.387 20 10 CCCDRO Oc1cccc(F)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234982949 806325300 /nfs/dbraw/zinc/32/53/00/806325300.db2.gz RZXXRUNVFQVJMS-CQSZACIVSA-N 1 0 265.332 0.669 20 10 CCCDRO Oc1cc(F)c(F)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234991090 806337964 /nfs/dbraw/zinc/33/79/64/806337964.db2.gz WBCRPUNRTZIDOR-CQSZACIVSA-N 1 0 283.322 0.808 20 10 CCCDRO CCOc1cccc(CN2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)c1O ZINC001236343426 806573222 /nfs/dbraw/zinc/57/32/22/806573222.db2.gz PKTHXTMWRNEIMO-VXGBXAGGSA-N 1 0 294.351 0.723 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@@H]1[NH3+] ZINC001236361247 806587753 /nfs/dbraw/zinc/58/77/53/806587753.db2.gz XOHNDAVVIKZWPG-STQMWFEESA-N 1 0 293.367 0.390 20 10 CCCDRO C[C@@H]1CN(Cc2cc(O)c(O)cc2O)C[C@@H](C)[NH2+]1 ZINC001236579413 806594484 /nfs/dbraw/zinc/59/44/84/806594484.db2.gz LHTSLYGZSVAIMC-RKDXNWHRSA-N 1 0 252.314 0.986 20 10 CCCDRO C[C@]1(C(=O)NCc2ccccc2O)C[C@H](O)C[NH2+]1 ZINC001121951931 799106046 /nfs/dbraw/zinc/10/60/46/799106046.db2.gz RVZKEZPPSMFKBQ-GXFFZTMASA-N 1 0 250.298 0.121 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1c(O)cccc1F ZINC001122172589 799160254 /nfs/dbraw/zinc/16/02/54/799160254.db2.gz DDZWCQASJLXDQB-QPUJVOFHSA-N 1 0 270.304 0.364 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1Cc2cccc(O)c2C1 ZINC001123947592 799513408 /nfs/dbraw/zinc/51/34/08/799513408.db2.gz UONCCYJOLIYUGB-RISCZKNCSA-N 1 0 287.363 0.623 20 10 CCCDRO Cc1cc(C[N@H+](C)C[C@H](O)CO)ccc1N(C)C ZINC001139669921 799828487 /nfs/dbraw/zinc/82/84/87/799828487.db2.gz DNTXOBKDYURYJZ-ZDUSSCGKSA-N 1 0 252.358 0.846 20 10 CCCDRO Nc1ccc(CC(=O)N2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001161246949 802115879 /nfs/dbraw/zinc/11/58/79/802115879.db2.gz SZKWKLWVICHKNX-CYBMUJFWSA-N 1 0 251.305 0.711 20 10 CCCDRO CN1CCC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001255473122 808381488 /nfs/dbraw/zinc/38/14/88/808381488.db2.gz OZAATRXYEVRZMU-NSHDSACASA-N 1 0 264.325 0.964 20 10 CCCDRO C[C@@]1(c2ccc(N3CC[C@@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC001164286526 802707179 /nfs/dbraw/zinc/70/71/79/802707179.db2.gz RDXFZSMIEYMBBK-YGRLFVJLSA-N 1 0 274.324 0.279 20 10 CCCDRO COc1cccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001203589752 803035311 /nfs/dbraw/zinc/03/53/11/803035311.db2.gz NGDTXMUHJCUZMI-AWEZNQCLSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001203620344 803037636 /nfs/dbraw/zinc/03/76/36/803037636.db2.gz AGUNVLBLYAQBRK-CQSZACIVSA-N 1 0 267.325 0.984 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1 ZINC001203670212 803041158 /nfs/dbraw/zinc/04/11/58/803041158.db2.gz LGQDUHIWKVPQPC-HUUCEWRRSA-N 1 0 281.352 0.966 20 10 CCCDRO O=C1NCC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204280597 803076708 /nfs/dbraw/zinc/07/67/08/803076708.db2.gz LEPVYLYHFRSAJS-JOYOIKCWSA-N 1 0 262.309 0.666 20 10 CCCDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC001205291080 803133176 /nfs/dbraw/zinc/13/31/76/803133176.db2.gz FGYMBAPEVKDLII-LLVKDONJSA-N 1 0 279.340 0.904 20 10 CCCDRO [NH3+][C@H]1CN(Cc2cc(O)c(O)c(O)c2)CC(F)(F)C1 ZINC001206139210 803209917 /nfs/dbraw/zinc/20/99/17/803209917.db2.gz HRGKCGDBWRWAKJ-MRVPVSSYSA-N 1 0 274.267 0.972 20 10 CCCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001206444681 803243544 /nfs/dbraw/zinc/24/35/44/803243544.db2.gz KGZQEDFHUWZHFG-BDAKNGLRSA-N 1 0 256.277 0.675 20 10 CCCDRO COc1cc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206536067 803262343 /nfs/dbraw/zinc/26/23/43/803262343.db2.gz XLKXZWRNHOVZMH-SDBXPKJASA-N 1 0 286.759 0.806 20 10 CCCDRO C[N@@H+]1CCC2(CN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516392 803368082 /nfs/dbraw/zinc/36/80/82/803368082.db2.gz AONSFCASMVUSON-UHFFFAOYSA-N 1 0 264.325 0.941 20 10 CCCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219923555 804448405 /nfs/dbraw/zinc/44/84/05/804448405.db2.gz RCEJPTPGMJIQSS-LEWSCRJBSA-N 1 0 276.336 0.775 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001249201099 807546453 /nfs/dbraw/zinc/54/64/53/807546453.db2.gz FIIVLCYDHQJDLX-UHFFFAOYSA-N 1 0 265.309 0.532 20 10 CCCDRO CCOC[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252043736 807773164 /nfs/dbraw/zinc/77/31/64/807773164.db2.gz DMWJMVBXQKCSDS-JTQLQIEISA-N 1 0 271.313 0.333 20 10 CCCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2C1 ZINC001268909307 813140994 /nfs/dbraw/zinc/14/09/94/813140994.db2.gz IUKZKHJZVWGUEN-DTWKUNHWSA-N 1 0 299.421 0.009 20 10 CCCDRO Oc1cc2c(cc1CN[C@H]1CCC[NH2+]C1)OCO2 ZINC000841042625 814605261 /nfs/dbraw/zinc/60/52/61/814605261.db2.gz MDJDULGYOSSWJJ-JTQLQIEISA-N 1 0 250.298 0.963 20 10 CCCDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(N)cc1 ZINC001120592333 816154472 /nfs/dbraw/zinc/15/44/72/816154472.db2.gz VQYQZMKTZUWDGU-UHFFFAOYSA-N 1 0 280.372 0.382 20 10 CCCDRO COc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)c(O)c1 ZINC001122065039 816562303 /nfs/dbraw/zinc/56/23/03/816562303.db2.gz JYJOUVJDZFOLSC-YGRLFVJLSA-N 1 0 280.324 0.130 20 10 CCCDRO CC1(C)NC(=O)Nc2cc(N(CC[NH3+])CCO)ccc21 ZINC001163836613 820383755 /nfs/dbraw/zinc/38/37/55/820383755.db2.gz WKNDSWLOVZFYNM-UHFFFAOYSA-N 1 0 278.356 0.814 20 10 CCCDRO CC(=O)Nc1cc2c(cc1N1CC[C@H]([NH3+])C1)OCO2 ZINC001164280907 820745092 /nfs/dbraw/zinc/74/50/92/820745092.db2.gz LSGSILWZJATOEF-VIFPVBQESA-N 1 0 263.297 0.911 20 10 CCCDRO CN(CC(=O)N1CCc2cccc(O)c2C1)C(N)=[NH2+] ZINC001144135758 839950699 /nfs/dbraw/zinc/95/06/99/839950699.db2.gz GCEYXYYLWRFMDH-UHFFFAOYSA-N 1 0 262.313 0.102 20 10 CCCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001144500715 840067191 /nfs/dbraw/zinc/06/71/91/840067191.db2.gz ZTTLNCMSTWLAMI-JOYOIKCWSA-N 1 0 257.261 0.708 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O ZINC001144504554 840068816 /nfs/dbraw/zinc/06/88/16/840068816.db2.gz UYKFCBSRUCLBND-KGLIPLIRSA-N 1 0 283.324 0.369 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144508850 840072988 /nfs/dbraw/zinc/07/29/88/840072988.db2.gz APRGVLYJPHHOSF-UHFFFAOYSA-N 1 0 296.323 0.094 20 10 CCCDRO C[NH+](C)C[C@H]1COCCN1C(=O)c1cccc(O)c1O ZINC001148219246 840765657 /nfs/dbraw/zinc/76/56/57/840765657.db2.gz YLBZHKOEXLJBOI-JTQLQIEISA-N 1 0 280.324 0.500 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206480969 843722654 /nfs/dbraw/zinc/72/26/54/843722654.db2.gz NFRCNMCIUGDNQQ-CMPLNLGQSA-N 1 0 282.340 0.161 20 10 CCCDRO COc1cc(C[N@H+](C)CCN2CCOCC2)cc(O)c1O ZINC001204341855 843824891 /nfs/dbraw/zinc/82/48/91/843824891.db2.gz HDVSCYBVIXZAHP-UHFFFAOYSA-N 1 0 296.367 0.870 20 10 CCCDRO C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000719336380 849308154 /nfs/dbraw/zinc/30/81/54/849308154.db2.gz IDIMAKNUHYKECJ-PSASIEDQSA-N 1 0 250.298 0.920 20 10 CCCDRO C[S@@](=O)C1(C(=O)NCc2ccccc2O)CC[NH2+]CC1 ZINC001119297706 856620333 /nfs/dbraw/zinc/62/03/33/856620333.db2.gz PZBJZTOKSBQJEG-HXUWFJFHSA-N 1 0 296.392 0.509 20 10 CCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC001339716144 908477975 /nfs/dbraw/zinc/47/79/75/908477975.db2.gz SQEUEEHLRAVAQT-ZWNOBZJWSA-N 1 0 265.357 0.144 20 10 CCCDRO O=C(C[C@]1(O)CCC[NH2+]C1)NCc1ccccc1O ZINC001340956197 922293842 /nfs/dbraw/zinc/29/38/42/922293842.db2.gz HQTQWAGOIZKNID-CQSZACIVSA-N 1 0 264.325 0.513 20 10 CCCDRO O=C(NCc1ccccc1O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340958167 922294206 /nfs/dbraw/zinc/29/42/06/922294206.db2.gz SZSHVIBCVFUGCB-UHFFFAOYSA-N 1 0 289.335 0.907 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](O)C[NH3+])C2)cc1 ZINC001341350370 922437586 /nfs/dbraw/zinc/43/75/86/922437586.db2.gz MIDGGJGBQHBOMP-DGCLKSJQSA-N 1 0 293.367 0.100 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC001343431701 923313168 /nfs/dbraw/zinc/31/31/68/923313168.db2.gz MVOHWUFJSBXPJG-DOMZBBRYSA-N 1 0 293.411 0.894 20 10 CCCDRO CN(CCC[NH3+])C(=O)C(=O)N(C)Cc1ccccc1O ZINC001350412827 925195246 /nfs/dbraw/zinc/19/52/46/925195246.db2.gz YNNDCOWFSRDZFX-UHFFFAOYSA-N 1 0 279.340 0.158 20 10 CCCDRO Nc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001357791500 926598128 /nfs/dbraw/zinc/59/81/28/926598128.db2.gz NEHRDNDPLYXZKP-YPMHNXCESA-N 1 0 260.341 0.772 20 10 CCCDRO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571745 348041872 /nfs/dbraw/zinc/04/18/72/348041872.db2.gz YXTRCCCHAWABDI-LBPRGKRZSA-N 1 0 277.368 0.829 20 10 CCCDRO Cc1cccc(C[NH+]2CCN(CCO)CC2)c1O ZINC000271826497 353034287 /nfs/dbraw/zinc/03/42/87/353034287.db2.gz QAIBUVFMVDRZOF-UHFFFAOYSA-N 1 0 250.342 0.811 20 10 CCCDRO C[C@H](C[NH3+])NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000274383745 353124920 /nfs/dbraw/zinc/12/49/20/353124920.db2.gz BHRPDLHFARWHMN-WXJAXGNASA-N 1 0 289.379 1.000 20 10 CCCDRO CS(=O)(=O)NCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295773836 353918105 /nfs/dbraw/zinc/91/81/05/353918105.db2.gz ALKUJWAPTKHXPG-NSHDSACASA-N 1 0 284.381 0.908 20 10 CCCDRO CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)c2cccnc21 ZINC000638118653 374684908 /nfs/dbraw/zinc/68/49/08/374684908.db2.gz WOZICEYJADPCJV-NSHDSACASA-N 1 0 258.325 0.912 20 10 CCCDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)N1 ZINC000193468950 389070809 /nfs/dbraw/zinc/07/08/09/389070809.db2.gz NGZXNWAHGUWSKI-CQSZACIVSA-N 1 0 275.308 0.566 20 10 CCCDRO C[NH2+]CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000151299522 389276605 /nfs/dbraw/zinc/27/66/05/389276605.db2.gz YAWDKZGQIGRSSC-QPJJXVBHSA-N 1 0 289.379 0.872 20 10 CCCDRO C[N@@H+]1CC[C@](O)(CNC(=O)C2=CC(=O)CS2)C1 ZINC000762819231 581964582 /nfs/dbraw/zinc/96/45/82/581964582.db2.gz YZXGREWANHVBPB-NSHDSACASA-N 1 0 256.327 0.250 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[NH2+]CCO1 ZINC000188270179 329367245 /nfs/dbraw/zinc/36/72/45/329367245.db2.gz ARHJWPYNDTVWTR-CQSZACIVSA-N 1 0 291.351 0.466 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@]1(O)CCOC1)OCO2 ZINC000229638013 333307166 /nfs/dbraw/zinc/30/71/66/333307166.db2.gz YPPRMTLWEPFFJL-CYBMUJFWSA-N 1 0 267.281 0.362 20 10 CCCDRO COC[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000125912851 522783153 /nfs/dbraw/zinc/78/31/53/522783153.db2.gz BJQLRZRULHPPGS-MRXNPFEDSA-N 1 0 294.395 0.962 20 10 CCCDRO C[N@H+](CCNC(=O)c1cccc(O)c1O)C1CC1 ZINC000126395219 522859748 /nfs/dbraw/zinc/85/97/48/522859748.db2.gz RLYNASLIQPFHAV-UHFFFAOYSA-N 1 0 250.298 0.922 20 10 CCCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000279692650 525100675 /nfs/dbraw/zinc/10/06/75/525100675.db2.gz QAEDRUAUCCDUPD-UHFFFAOYSA-N 1 0 299.348 0.788 20 10 CCCDRO COc1cccc(O)c1C[NH2+]C[C@H]1COCCO1 ZINC000725846889 581150121 /nfs/dbraw/zinc/15/01/21/581150121.db2.gz QMZSYBSFXWDRGW-JTQLQIEISA-N 1 0 253.298 0.906 20 10 CCCDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779015689 581172682 /nfs/dbraw/zinc/17/26/82/581172682.db2.gz BCVPKQDBPDRDLH-NSHDSACASA-N 1 0 288.344 0.784 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000785984484 581597756 /nfs/dbraw/zinc/59/77/56/581597756.db2.gz GHCLLOKNTCDXQR-LLVKDONJSA-N 1 0 270.354 0.563 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000768137460 581645978 /nfs/dbraw/zinc/64/59/78/581645978.db2.gz LNQCUNXRZDTVNX-SECBINFHSA-N 1 0 250.298 0.708 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCNC2=O)c1 ZINC000775369108 582021098 /nfs/dbraw/zinc/02/10/98/582021098.db2.gz JQCCYGNBBOOSAW-VIFPVBQESA-N 1 0 293.323 0.603 20 10 CCCDRO CN(CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648709 582032605 /nfs/dbraw/zinc/03/26/05/582032605.db2.gz ILCYAVKCZBXTII-UHFFFAOYSA-N 1 0 276.384 0.356 20 10 CCCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776173838 582056117 /nfs/dbraw/zinc/05/61/17/582056117.db2.gz ANRNDIFCXRHXGD-AWEZNQCLSA-N 1 0 285.340 0.896 20 10 CCCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCNC1=O ZINC000768465455 582107093 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COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000842000144 617274122 /nfs/dbraw/zinc/27/41/22/617274122.db2.gz SGPDLPGPLAWAKU-HDRXNWCYSA-N 1 0 291.351 0.979 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)COCC[NH3+])c1 ZINC000828667959 617274123 /nfs/dbraw/zinc/27/41/23/617274123.db2.gz XDWHCXZTJGDWDF-VIFPVBQESA-N 1 0 268.313 0.553 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000132574798 617272707 /nfs/dbraw/zinc/27/27/07/617272707.db2.gz RDDKUEQSAJPNQI-QMTHXVAHSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000895331151 617272786 /nfs/dbraw/zinc/27/27/86/617272786.db2.gz OBOAHQOCDCUYDL-SMDDNHRTSA-N 1 0 267.325 0.718 20 10 CCCDRO COc1cccc(C[NH+]2CC(C)(C(N)=O)C2)c1O ZINC000843416440 617296650 /nfs/dbraw/zinc/29/66/50/617296650.db2.gz SHMBRNSUNRELQO-UHFFFAOYSA-N 1 0 250.298 0.708 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846046651 617300462 /nfs/dbraw/zinc/30/04/62/617300462.db2.gz LNJOFRXMCVZHCO-AOOOYVTPSA-N 1 0 250.298 0.754 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000922972094 617299888 /nfs/dbraw/zinc/29/98/88/617299888.db2.gz GJXKLNBXOHHVEZ-GFCCVEGCSA-N 1 0 277.324 0.958 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c1O ZINC000846158785 617309182 /nfs/dbraw/zinc/30/91/82/617309182.db2.gz KPSCIVFHMSRANL-NSHDSACASA-N 1 0 294.351 0.910 20 10 CCCDRO CCNC(=O)CN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876569677 615047457 /nfs/dbraw/zinc/04/74/57/615047457.db2.gz VXDSVZICWFCYDV-UHFFFAOYSA-N 1 0 291.395 0.954 20 10 CCCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000898359234 615237299 /nfs/dbraw/zinc/23/72/99/615237299.db2.gz NNJDPQOWZIGBFB-STQMWFEESA-N 1 0 294.351 0.931 20 10 CCCDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957939 615388622 /nfs/dbraw/zinc/38/86/22/615388622.db2.gz RDLMMJYZNCHCQB-KGLIPLIRSA-N 1 0 277.368 0.695 20 10 CCCDRO CCOc1ccc(CN2CCO[C@@H](C[NH3+])C2)c(O)c1 ZINC000843069231 615510560 /nfs/dbraw/zinc/51/05/60/615510560.db2.gz QESUVMWLDMVWEG-ZDUSSCGKSA-N 1 0 266.341 0.950 20 10 CCCDRO CN(C)c1cc(F)c(C[NH2+]C(CO)CO)cc1F ZINC000858146743 616006170 /nfs/dbraw/zinc/00/61/70/616006170.db2.gz NQUATTIGTPOGOU-UHFFFAOYSA-N 1 0 260.284 0.474 20 10 CCCDRO CN(C)c1ccc(C[NH2+]CCC(=O)NC(N)=O)cc1 ZINC000818941070 616015566 /nfs/dbraw/zinc/01/55/66/616015566.db2.gz CKFIDQUPPRSIOB-UHFFFAOYSA-N 1 0 264.329 0.427 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000844177311 616015728 /nfs/dbraw/zinc/01/57/28/616015728.db2.gz IMKSVBQRFFBAFY-YABSGUDNSA-N 1 0 277.343 0.973 20 10 CCCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1 ZINC000922541177 616016093 /nfs/dbraw/zinc/01/60/93/616016093.db2.gz WDKXOGJMCPUYEU-MRXNPFEDSA-N 1 0 293.411 0.535 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnn2C)cc1 ZINC000832280171 616019354 /nfs/dbraw/zinc/01/93/54/616019354.db2.gz NPEHGOGOYRCLMP-ZDUSSCGKSA-N 1 0 287.367 0.916 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000043709848 616167058 /nfs/dbraw/zinc/16/70/58/616167058.db2.gz GBCKFHPDTZHRDS-CQSZACIVSA-N 1 0 277.368 0.699 20 10 CCCDRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126277199 616207992 /nfs/dbraw/zinc/20/79/92/616207992.db2.gz GOEGJLKNDOSPBH-VIFPVBQESA-N 1 0 250.298 0.922 20 10 CCCDRO COCC[NH2+]CCNC(=O)NCc1ccccc1O ZINC000841968369 616509440 /nfs/dbraw/zinc/50/94/40/616509440.db2.gz PSOUSSQCPAYAFH-UHFFFAOYSA-N 1 0 267.329 0.427 20 10 CCCDRO COCCNCC[NH2+]Cc1cccc(OC)c1O ZINC000841048720 616510698 /nfs/dbraw/zinc/51/06/98/616510698.db2.gz SCPPLXZHBCEKAX-UHFFFAOYSA-N 1 0 254.330 0.726 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2O)C1 ZINC000895706187 616561814 /nfs/dbraw/zinc/56/18/14/616561814.db2.gz DZGOHRPZUIBVFA-CYBMUJFWSA-N 1 0 251.282 0.502 20 10 CCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000880566175 616785994 /nfs/dbraw/zinc/78/59/94/616785994.db2.gz WAOUUPGZYBAUFY-HNNXBMFYSA-N 1 0 278.352 0.862 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000866497890 616918151 /nfs/dbraw/zinc/91/81/51/616918151.db2.gz NNLQYQGJYJXRER-GAJTVXKRSA-N 1 0 295.335 0.979 20 10 CCCDRO COC[C@@H](OC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792467 616932241 /nfs/dbraw/zinc/93/22/41/616932241.db2.gz WYDYEBDLDSJZAJ-UONOGXRCSA-N 1 0 295.383 0.530 20 10 CCCDRO C[NH2+]CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841914558 616945404 /nfs/dbraw/zinc/94/54/04/616945404.db2.gz FVHCDULXRJONLC-UHFFFAOYSA-N 1 0 250.346 0.720 20 10 CCCDRO C[NH2+]CCOCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000861550210 616967283 /nfs/dbraw/zinc/96/72/83/616967283.db2.gz ZGUSKACFUXMYSW-UHFFFAOYSA-N 1 0 294.399 0.788 20 10 CCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000147626505 617041043 /nfs/dbraw/zinc/04/10/43/617041043.db2.gz RSRBOSHRAXNKAQ-NSHDSACASA-N 1 0 295.358 0.886 20 10 CCCDRO CO[N-]C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000922830375 617117780 /nfs/dbraw/zinc/11/77/80/617117780.db2.gz PBGDCISOMNVGMJ-UHFFFAOYSA-N 1 0 292.383 0.206 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1C ZINC001022635967 622603045 /nfs/dbraw/zinc/60/30/45/622603045.db2.gz KDYMKKYUZNXLGB-TXEJJXNPSA-N 1 0 291.351 0.226 20 10 CCCDRO [NH3+]CCCOCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000892291782 622785191 /nfs/dbraw/zinc/78/51/91/622785191.db2.gz PQQKSACCIDAPQQ-UHFFFAOYSA-N 1 0 279.340 0.783 20 10 CCCDRO C[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248327 624792242 /nfs/dbraw/zinc/79/22/42/624792242.db2.gz KSOIMYMIXRJZTL-SMDDNHRTSA-N 1 0 279.384 0.852 20 10 CCCDRO COCC[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000093005791 624996644 /nfs/dbraw/zinc/99/66/44/624996644.db2.gz IDZKKPDWVYFPBS-UHFFFAOYSA-N 1 0 294.395 0.964 20 10 CCCDRO COc1ccc(O)c(CN2CCCO[C@H](C[NH3+])C2)c1 ZINC000313349027 625770553 /nfs/dbraw/zinc/77/05/53/625770553.db2.gz UQWSMJBTAFMSFQ-CYBMUJFWSA-N 1 0 266.341 0.950 20 10 CCCDRO C[NH2+]CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237253909 632027976 /nfs/dbraw/zinc/02/79/76/632027976.db2.gz YHESNFGJRVAOFN-LBPRGKRZSA-N 1 0 277.368 0.920 20 10 CCCDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000323277149 633417496 /nfs/dbraw/zinc/41/74/96/633417496.db2.gz KKKQEYIDVOBHPD-HUUCEWRRSA-N 1 0 278.352 0.373 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@H](C[NH3+])C2)c1 ZINC000164682703 636879410 /nfs/dbraw/zinc/87/94/10/636879410.db2.gz JWQQUOQTMYQTSF-GFCCVEGCSA-N 1 0 252.314 0.560 20 10 CCCDRO O=C(NCc1ccccc1O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000828016300 642058545 /nfs/dbraw/zinc/05/85/45/642058545.db2.gz ZBJKVRNENISVFY-YHWZYXNKSA-N 1 0 288.347 0.823 20 10 CCCDRO C[C@]1(NC(=O)NCCc2ccc(N)cc2)CC[NH2+]C1 ZINC000831103342 642314176 /nfs/dbraw/zinc/31/41/76/642314176.db2.gz LXCXAQMJCABNQM-AWEZNQCLSA-N 1 0 262.357 0.863 20 10 CCCDRO Nc1ccc(CCNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000832652992 642510548 /nfs/dbraw/zinc/51/05/48/642510548.db2.gz NUHBCTNBPOYZHD-UHFFFAOYSA-N 1 0 277.368 0.696 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC[NH3+] ZINC000842152364 642877006 /nfs/dbraw/zinc/87/70/06/642877006.db2.gz HLBFFFRNJWKUSG-UHFFFAOYSA-N 1 0 292.383 0.142 20 10 CCCDRO Oc1cc2c(cc1CN1CC([N@@H+]3CC[C@@H](O)C3)C1)OCO2 ZINC000843422589 643053258 /nfs/dbraw/zinc/05/32/58/643053258.db2.gz VMTIHHWTLSWLPG-GFCCVEGCSA-N 1 0 292.335 0.372 20 10 CCCDRO C[C@@H]1C[C@H]([NH3+])CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000866682008 645570961 /nfs/dbraw/zinc/57/09/61/645570961.db2.gz DZSOAGKCYWPJNO-OCCSQVGLSA-N 1 0 290.411 0.790 20 10 CCCDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC(=O)Nc2cnccc21 ZINC000876747027 646655931 /nfs/dbraw/zinc/65/59/31/646655931.db2.gz SJHUMSVZQZFSFS-DLRQAJBASA-N 1 0 286.335 0.923 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876767792 646660763 /nfs/dbraw/zinc/66/07/63/646660763.db2.gz PRZIHVMQUAGXHF-AWEZNQCLSA-N 1 0 278.400 0.566 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000877560023 646823905 /nfs/dbraw/zinc/82/39/05/646823905.db2.gz DJRZNISIEMJVKH-ZDUSSCGKSA-N 1 0 285.365 0.340 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000877577491 646825552 /nfs/dbraw/zinc/82/55/52/646825552.db2.gz FFGLCAPWELAJIC-JSGCOSHPSA-N 1 0 276.336 0.790 20 10 CCCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000877609195 646828234 /nfs/dbraw/zinc/82/82/34/646828234.db2.gz BCSPPNMTOCMLTD-LLVKDONJSA-N 1 0 284.381 0.824 20 10 CCCDRO C[C@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccccc1O ZINC000931555215 649004958 /nfs/dbraw/zinc/00/49/58/649004958.db2.gz VGBJHCFIELATTA-SMDDNHRTSA-N 1 0 281.352 0.945 20 10 CCCDRO CCOc1cccc(CN2CCN(C)C[C@H]2C[NH3+])c1O ZINC000250518886 649772295 /nfs/dbraw/zinc/77/22/95/649772295.db2.gz QUWIGEMDWJCKMD-CYBMUJFWSA-N 1 0 279.384 0.866 20 10 CCCDRO COc1ccc(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c(O)c1 ZINC001277454328 805597236 /nfs/dbraw/zinc/59/72/36/805597236.db2.gz RCFKVGWAIQGIBM-CMPLNLGQSA-N 1 0 291.307 0.073 20 10 CCCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001232838180 805985515 /nfs/dbraw/zinc/98/55/15/805985515.db2.gz 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O=C1NCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141162654 799986690 /nfs/dbraw/zinc/98/66/90/799986690.db2.gz YQULMNBIVOSTBU-UHFFFAOYSA-N 1 0 277.324 0.745 20 10 CCCDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc(O)c1O ZINC001157352166 801360249 /nfs/dbraw/zinc/36/02/49/801360249.db2.gz UNBQUZMCCBKPJO-JTQLQIEISA-N 1 0 295.339 0.071 20 10 CCCDRO O=C(C[C@H]1COCC[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160873191 802036430 /nfs/dbraw/zinc/03/64/30/802036430.db2.gz UJPGURMERRTFSF-LBPRGKRZSA-N 1 0 276.336 0.655 20 10 CCCDRO [NH3+][C@H](CC(=O)N1CCC(O)CC1)c1ccccc1O ZINC001161181603 802105838 /nfs/dbraw/zinc/10/58/38/802105838.db2.gz CHMYGXFOLHTNJV-GFCCVEGCSA-N 1 0 264.325 0.765 20 10 CCCDRO Cn1ccc(-c2cnc(OC3CC[NH2+]CC3)nc2)cc1=O ZINC001240998103 806961257 /nfs/dbraw/zinc/96/12/57/806961257.db2.gz LUOHNBHJBDSDMV-UHFFFAOYSA-N 1 0 286.335 0.973 20 10 CCCDRO C[C@]1(c2ccc(N3CC[C@@H]([NH3+])C3)cc2)NC(=O)NC1=O ZINC001164286525 802707026 /nfs/dbraw/zinc/70/70/26/802707026.db2.gz RDXFZSMIEYMBBK-QMTHXVAHSA-N 1 0 274.324 0.279 20 10 CCCDRO COc1ccc(C[NH2+]CCCNC(=O)C(N)=O)cc1C ZINC001165623848 802856603 /nfs/dbraw/zinc/85/66/03/802856603.db2.gz ANRXXOKPWPUKIC-UHFFFAOYSA-N 1 0 279.340 0.085 20 10 CCCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203875111 803049389 /nfs/dbraw/zinc/04/93/89/803049389.db2.gz HMVKITCYAVOAOT-KGLIPLIRSA-N 1 0 267.325 0.663 20 10 CCCDRO Oc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001204276058 803077288 /nfs/dbraw/zinc/07/72/88/803077288.db2.gz FEQKQGHOHBNDBL-LBPRGKRZSA-N 1 0 264.325 0.614 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204345241 803081011 /nfs/dbraw/zinc/08/10/11/803081011.db2.gz PYZWCUKKCWJXDY-UHFFFAOYSA-N 1 0 268.313 0.674 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206481664 803252309 /nfs/dbraw/zinc/25/23/09/803252309.db2.gz XLKXZWRNHOVZMH-ISVAXAHUSA-N 1 0 286.759 0.806 20 10 CCCDRO O=C1C[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001218340047 803949525 /nfs/dbraw/zinc/94/95/25/803949525.db2.gz XZNXSXIWAGYTMJ-CYBMUJFWSA-N 1 0 261.325 0.364 20 10 CCCDRO C[NH2+]CCC(=O)NCCc1cc(O)c(O)cc1O ZINC001220116179 804504995 /nfs/dbraw/zinc/50/49/95/804504995.db2.gz ZTOMBSRYMVMJGM-UHFFFAOYSA-N 1 0 254.286 0.072 20 10 CCCDRO O=C(CNC(=O)[C@H]1CC[NH2+]C[C@H]1F)c1ccc(O)c(O)c1 ZINC001220490026 804613416 /nfs/dbraw/zinc/61/34/16/804613416.db2.gz PQTHOOCAWALCSH-VHSXEESVSA-N 1 0 296.298 0.344 20 10 CCCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490154 804613911 /nfs/dbraw/zinc/61/39/11/804613911.db2.gz VUHILZNUDRENEE-KOLCDFICSA-N 1 0 292.335 0.785 20 10 CCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246465584 807258021 /nfs/dbraw/zinc/25/80/21/807258021.db2.gz KOTMGKAUKGLKGB-KBPBESRZSA-N 1 0 277.368 0.695 20 10 CCCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CN1CCOCC1 ZINC001251035715 807650563 /nfs/dbraw/zinc/65/05/63/807650563.db2.gz LRKPOFOSNDARPW-HNNXBMFYSA-N 1 0 292.379 0.404 20 10 CCCDRO COC(=O)[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252428473 807842246 /nfs/dbraw/zinc/84/22/46/807842246.db2.gz PTGALZAKAPQSMV-CYBMUJFWSA-N 1 0 281.308 0.380 20 10 CCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccc(O)cc1O ZINC001256324478 808495019 /nfs/dbraw/zinc/49/50/19/808495019.db2.gz SRVPDHXBOXQOSB-LLVKDONJSA-N 1 0 294.351 0.825 20 10 CCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccc(O)cc1O ZINC001256324482 808495587 /nfs/dbraw/zinc/49/55/87/808495587.db2.gz SRVPDHXBOXQOSB-NSHDSACASA-N 1 0 294.351 0.825 20 10 CCCDRO [NH3+]C[C@@H](O)CC(=O)NCCCSc1nccs1 ZINC001263084619 809433995 /nfs/dbraw/zinc/43/39/95/809433995.db2.gz ABTXQQHEGMDPQA-QMMMGPOBSA-N 1 0 275.399 0.451 20 10 CCCDRO CN(C)c1ccc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000722231234 812003672 /nfs/dbraw/zinc/00/36/72/812003672.db2.gz CVFNTMUTBMCRIE-AWEZNQCLSA-N 1 0 297.424 0.924 20 10 CCCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001268909850 813141161 /nfs/dbraw/zinc/14/11/61/813141161.db2.gz PTZWKYMGAGDZFN-DTORHVGOSA-N 1 0 299.421 0.152 20 10 CCCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001270069818 813613041 /nfs/dbraw/zinc/61/30/41/813613041.db2.gz RCFAQJMZLIVVLJ-WCBMZHEXSA-N 1 0 278.308 0.580 20 10 CCCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001120371141 816038395 /nfs/dbraw/zinc/03/83/95/816038395.db2.gz SIYJFDPWJQEYGM-CYBMUJFWSA-N 1 0 263.341 0.606 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@H]1N ZINC001236348884 817276924 /nfs/dbraw/zinc/27/69/24/817276924.db2.gz NHYJRJODWYNVTA-QWHCGFSZSA-N 1 0 278.352 0.941 20 10 CCCDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001169492825 836300920 /nfs/dbraw/zinc/30/09/20/836300920.db2.gz CXBPYOVBZYTOIP-RISCZKNCSA-N 1 0 280.324 0.342 20 10 CCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001203602431 844312410 /nfs/dbraw/zinc/31/24/10/844312410.db2.gz WORDFQOQKPJAQG-QWHCGFSZSA-N 1 0 281.352 0.966 20 10 CCCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)cc1C(N)=O ZINC001170996288 839682943 /nfs/dbraw/zinc/68/29/43/839682943.db2.gz NLVRPHOYTVFDAX-UHFFFAOYSA-N 1 0 295.339 0.122 20 10 CCCDRO CCOC(=O)[C@H]1CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514936 840074547 /nfs/dbraw/zinc/07/45/47/840074547.db2.gz YEJRLPOITZQJNB-CYBMUJFWSA-N 1 0 297.307 0.567 20 10 CCCDRO O=C(c1cccc(O)c1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001148219124 840766917 /nfs/dbraw/zinc/76/69/17/840766917.db2.gz UHGVZWLTRRQDRI-UHFFFAOYSA-N 1 0 286.291 0.506 20 10 CCCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148587041 840852597 /nfs/dbraw/zinc/85/25/97/840852597.db2.gz BEGYSWGETLDNAE-MEBBXXQBSA-N 1 0 292.335 0.827 20 10 CCCDRO N=c1cc(C[NH3+])ccn1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148589917 840855300 /nfs/dbraw/zinc/85/53/00/840855300.db2.gz QKSJWEPMBURASC-UHFFFAOYSA-N 1 0 275.264 0.232 20 10 CCCDRO O=C(C[NH2+]Cc1ccc(N2CCOCC2)cc1)NC1CC1 ZINC000036782270 841225459 /nfs/dbraw/zinc/22/54/59/841225459.db2.gz REIOABBWODYPIL-UHFFFAOYSA-N 1 0 289.379 0.891 20 10 CCCDRO [NH3+]CCN(C(=O)c1ccc(=O)[nH]n1)c1cccnc1 ZINC001181752882 843600179 /nfs/dbraw/zinc/60/01/79/843600179.db2.gz UTBRVADFRWQXGS-UHFFFAOYSA-N 1 0 259.269 0.640 20 10 CCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc(O)c1O ZINC001193114589 845982560 /nfs/dbraw/zinc/98/25/60/845982560.db2.gz WTFCOSLUPOFQCJ-JTQLQIEISA-N 1 0 280.324 0.930 20 10 CCCDRO O=C1COC[C@@]2(C[NH2+]Cc3ccccc3O)COCCN12 ZINC000865801269 848040917 /nfs/dbraw/zinc/04/09/17/848040917.db2.gz UANCTINLYUFQAL-OAHLLOKOSA-N 1 0 292.335 0.110 20 10 CCCDRO CN1CCO[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001275113036 848640876 /nfs/dbraw/zinc/64/08/76/848640876.db2.gz YXGMWLHUJQUYQD-FZMZJTMJSA-N 1 0 280.324 0.318 20 10 CCCDRO C[NH+](C)CCN1CCC12CN(Cc1ccc(O)c(O)c1)C2 ZINC001275821261 848835458 /nfs/dbraw/zinc/83/54/58/848835458.db2.gz MFBUTPCOOVGEGK-UHFFFAOYSA-N 1 0 291.395 0.920 20 10 CCCDRO O=S1(=O)CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001254318365 852521435 /nfs/dbraw/zinc/52/14/35/852521435.db2.gz YOLRSPVKASZOPU-SNVBAGLBSA-N 1 0 271.338 0.417 20 10 CCCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001205210560 897414909 /nfs/dbraw/zinc/41/49/09/897414909.db2.gz PYJQNFKDPWZWQH-AWEZNQCLSA-N 1 0 266.341 0.774 20 10 CCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001330567034 916706440 /nfs/dbraw/zinc/70/64/40/916706440.db2.gz FEZIKSYIWKRRIC-JQWIXIFHSA-N 1 0 291.351 0.299 20 10 CCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc(N)cc1 ZINC001341242723 922396440 /nfs/dbraw/zinc/39/64/40/922396440.db2.gz RXWQPXBBAMUUOM-IUODEOHRSA-N 1 0 288.395 0.316 20 10 CCCDRO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)c1ccccc1O ZINC001341540841 922542570 /nfs/dbraw/zinc/54/25/70/922542570.db2.gz JSGASLXPLOMEJY-PKFCDNJMSA-N 1 0 264.325 0.682 20 10 CCCDRO [NH3+]CCN1CCC[C@@H](C(=O)NCc2ccccc2O)C1=O ZINC001341815708 922685628 /nfs/dbraw/zinc/68/56/28/922685628.db2.gz SEQCCZCLIMHAFY-LBPRGKRZSA-N 1 0 291.351 0.206 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](O)C[NH3+] ZINC001343431700 923313590 /nfs/dbraw/zinc/31/35/90/923313590.db2.gz MTIWJILQLUQHFV-ZDUSSCGKSA-N 1 0 265.357 0.387 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])c(O)c1 ZINC001343660727 923408216 /nfs/dbraw/zinc/40/82/16/923408216.db2.gz RGXFUTHEKZVVFP-MWLCHTKSSA-N 1 0 250.298 0.612 20 10 CCCDRO C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1O ZINC001352056141 925516474 /nfs/dbraw/zinc/51/64/74/925516474.db2.gz VKEILDORCGALIB-ZYHUDNBSSA-N 1 0 291.351 0.438 20 10 CCCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(N)cc3)C2=O)cn1 ZINC001352788785 925641734 /nfs/dbraw/zinc/64/17/34/925641734.db2.gz HFMFLZTXGZYRAH-AWEZNQCLSA-N 1 0 285.351 0.897 20 10 CCCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001356083558 926341268 /nfs/dbraw/zinc/34/12/68/926341268.db2.gz SKZAZGCPEVPASG-ZDUSSCGKSA-N 1 0 283.397 0.782 20 10 CCCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001356254846 926361929 /nfs/dbraw/zinc/36/19/29/926361929.db2.gz WUKYJRGUMUWYSU-WFASDCNBSA-N 1 0 290.411 0.562 20 10 CCCDRO COc1cccc(C[NH2+]CCC(=O)N(C)C)c1O ZINC000037751524 348201286 /nfs/dbraw/zinc/20/12/86/348201286.db2.gz YYCQYELNTMQHSL-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000184191514 351405190 /nfs/dbraw/zinc/40/51/90/351405190.db2.gz YIQQDMGXRDWORK-CYBMUJFWSA-N 1 0 253.298 0.642 20 10 CCCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)N1CC[NH+](C)CC1 ZINC000187106862 351528486 /nfs/dbraw/zinc/52/84/86/351528486.db2.gz HOKIUHLZHSXNTI-NSHDSACASA-N 1 0 293.367 0.464 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)CC(C)(CO)CO)cc1OC ZINC000271815477 353034394 /nfs/dbraw/zinc/03/43/94/353034394.db2.gz MSIPEONRASNJLK-UHFFFAOYSA-N 1 0 299.367 0.832 20 10 CCCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1O ZINC000273131710 353110281 /nfs/dbraw/zinc/11/02/81/353110281.db2.gz VDSRIXCVRRIFBD-LBPRGKRZSA-N 1 0 278.352 0.977 20 10 CCCDRO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000284473055 353555717 /nfs/dbraw/zinc/55/57/17/353555717.db2.gz AJGOHYBKOMMPML-UONOGXRCSA-N 1 0 286.335 0.943 20 10 CCCDRO COc1cc(O)c(CN2CC[NH+](CCO)CC2)cc1OC ZINC000183370732 388753913 /nfs/dbraw/zinc/75/39/13/388753913.db2.gz KWJPBGQWZPIMLT-UHFFFAOYSA-N 1 0 296.367 0.519 20 10 CCCDRO C[C@H](CO)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298631750 389036719 /nfs/dbraw/zinc/03/67/19/389036719.db2.gz VXKLTVYGCJKMFP-GFCCVEGCSA-N 1 0 279.384 0.681 20 10 CCCDRO COC[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000357222677 389132368 /nfs/dbraw/zinc/13/23/68/389132368.db2.gz HOGVOMDNVQZFTH-LLVKDONJSA-N 1 0 279.340 0.452 20 10 CCCDRO COc1c(O)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000373896599 389526939 /nfs/dbraw/zinc/52/69/39/389526939.db2.gz GOBHYBAGCWUQRM-VHSXEESVSA-N 1 0 298.295 0.237 20 10 CCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000376162499 389730358 /nfs/dbraw/zinc/73/03/58/389730358.db2.gz MIXAEYZDCSWAIL-LLVKDONJSA-N 1 0 270.354 0.516 20 10 CCCDRO C[C@@H](O)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000159484515 261186596 /nfs/dbraw/zinc/18/65/96/261186596.db2.gz HXXWYXVYBWYBOH-GFCCVEGCSA-N 1 0 279.384 0.681 20 10 CCCDRO CCN1CCO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000370734640 267342921 /nfs/dbraw/zinc/34/29/21/267342921.db2.gz IYXQNUTYSAUIRG-CYBMUJFWSA-N 1 0 264.325 0.729 20 10 CCCDRO COc1c(O)c(C[NH2+][C@H]2COC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000290367952 521882839 /nfs/dbraw/zinc/88/28/39/521882839.db2.gz AHVRYSUIUKNMPR-ONGXEEELSA-N 1 0 298.295 0.812 20 10 CCCDRO CN(C)c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1F ZINC000278447729 522185062 /nfs/dbraw/zinc/18/50/62/522185062.db2.gz XHSLZZPGCBDGHH-CHWSQXEVSA-N 1 0 254.305 0.429 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000043800727 522199876 /nfs/dbraw/zinc/19/98/76/522199876.db2.gz LQNYRXGSUZCNLH-ZDUSSCGKSA-N 1 0 263.341 0.357 20 10 CCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000290410846 523113381 /nfs/dbraw/zinc/11/33/81/523113381.db2.gz UFVWIDCNPQQOBX-CYBMUJFWSA-N 1 0 293.367 0.649 20 10 CCCDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000290410848 523116408 /nfs/dbraw/zinc/11/64/08/523116408.db2.gz UFVWIDCNPQQOBX-ZDUSSCGKSA-N 1 0 293.367 0.649 20 10 CCCDRO COCCN(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000061377901 523605944 /nfs/dbraw/zinc/60/59/44/523605944.db2.gz UCCJNVANSCMTAI-UHFFFAOYSA-N 1 0 282.340 0.789 20 10 CCCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000779030909 581173211 /nfs/dbraw/zinc/17/32/11/581173211.db2.gz PSYXHDGVHLZBPC-GFCCVEGCSA-N 1 0 284.381 0.906 20 10 CCCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794710233 581384889 /nfs/dbraw/zinc/38/48/89/581384889.db2.gz KKVACXFGJYHYNP-IUODEOHRSA-N 1 0 292.335 0.515 20 10 CCCDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770510064 581748980 /nfs/dbraw/zinc/74/89/80/581748980.db2.gz IGNKCOKTTRIHMU-NSHDSACASA-N 1 0 284.381 0.893 20 10 CCCDRO Cn1nnnc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000771872661 581832151 /nfs/dbraw/zinc/83/21/51/581832151.db2.gz HUTUYXLZJAMDHR-UHFFFAOYSA-N 1 0 259.313 0.477 20 10 CCCDRO COc1cccc(O)c1C[NH+]1CCN(CCO)CC1 ZINC000771926038 581834312 /nfs/dbraw/zinc/83/43/12/581834312.db2.gz AHQFWEJQMJMRFK-UHFFFAOYSA-N 1 0 266.341 0.511 20 10 CCCDRO COc1cc(C)cc(C[NH+](CCO)CCO)c1O ZINC000895387453 617175254 /nfs/dbraw/zinc/17/52/54/617175254.db2.gz BRLWWQVDVADRQF-UHFFFAOYSA-N 1 0 255.314 0.496 20 10 CCCDRO COc1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000841943750 617255313 /nfs/dbraw/zinc/25/53/13/617255313.db2.gz UXDUULVLJORRCM-NSHDSACASA-N 1 0 279.340 0.952 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c(O)c1 ZINC000852889052 617255587 /nfs/dbraw/zinc/25/55/87/617255587.db2.gz ATDTVZTWWNNRCE-YPMHNXCESA-N 1 0 280.324 0.381 20 10 CCCDRO COc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)c(O)c1 ZINC000832178795 617256501 /nfs/dbraw/zinc/25/65/01/617256501.db2.gz XBYANJRVHOFECR-GFCCVEGCSA-N 1 0 266.297 0.005 20 10 CCCDRO COc1ccc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1C ZINC000922827022 617258354 /nfs/dbraw/zinc/25/83/54/617258354.db2.gz MPKISPYELNDWCT-LBPRGKRZSA-N 1 0 287.381 0.499 20 10 CCCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)[C@H](C)O)CC2)cc1 ZINC000929315968 617267728 /nfs/dbraw/zinc/26/77/28/617267728.db2.gz NRHUYFLKOWWHNU-BBRMVZONSA-N 1 0 294.395 0.949 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)CC[NH3+])C2)cc1 ZINC000851639554 617267951 /nfs/dbraw/zinc/26/79/51/617267951.db2.gz HKZNYHHBBITKDL-LLVKDONJSA-N 1 0 263.341 0.739 20 10 CCCDRO COc1ccc(N2CC[C@H](N[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925711908 617268214 /nfs/dbraw/zinc/26/82/14/617268214.db2.gz FTRIQTGWGAEQIE-UONOGXRCSA-N 1 0 291.395 0.852 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000828667696 617273942 /nfs/dbraw/zinc/27/39/42/617273942.db2.gz TXEPCOQYGKKVKJ-CMPLNLGQSA-N 1 0 294.351 0.957 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000852885977 617274353 /nfs/dbraw/zinc/27/43/53/617274353.db2.gz WFIFBBNDDKAHGG-CHIMOYNISA-N 1 0 294.351 0.942 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000817419372 617273527 /nfs/dbraw/zinc/27/35/27/617273527.db2.gz UTYGIKDKUYIMJN-NSHDSACASA-N 1 0 289.339 0.882 20 10 CCCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1O ZINC000846143711 617309161 /nfs/dbraw/zinc/30/91/61/617309161.db2.gz FXGLXWHXBSYLFM-QWRGUYRKSA-N 1 0 268.357 0.974 20 10 CCCDRO C[NH+](C)CCCS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690223 615885447 /nfs/dbraw/zinc/88/54/47/615885447.db2.gz DCVMJPBQVOAWNR-UHFFFAOYSA-N 1 0 284.381 0.989 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1F ZINC000846672726 615911321 /nfs/dbraw/zinc/91/13/21/615911321.db2.gz JPRSOEUUETVADE-CYBMUJFWSA-N 1 0 296.390 0.787 20 10 CCCDRO CN(C)c1ccc(CNC(=O)Cn2ccnc2C[NH3+])cc1 ZINC000864620394 616014717 /nfs/dbraw/zinc/01/47/17/616014717.db2.gz PWCFKGPJPVPUTK-UHFFFAOYSA-N 1 0 287.367 0.724 20 10 CCCDRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccccc1O ZINC000866752289 616039575 /nfs/dbraw/zinc/03/95/75/616039575.db2.gz LHHWOHDYJSKSDA-UHFFFAOYSA-N 1 0 299.396 0.410 20 10 CCCDRO C[N@H+](CCO)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000925001908 616102830 /nfs/dbraw/zinc/10/28/30/616102830.db2.gz ZAYQLDNZAMYVGP-HWKANZROSA-N 1 0 280.324 0.151 20 10 CCCDRO CN(Cc1cc2c(cc1O)OCO2)[C@H]1CC[NH2+]C1 ZINC000843049606 616165153 /nfs/dbraw/zinc/16/51/53/616165153.db2.gz SRRZSPJPALWNSI-JTQLQIEISA-N 1 0 250.298 0.915 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000844218092 616166733 /nfs/dbraw/zinc/16/67/33/616166733.db2.gz QIEVVLZUJGYYLJ-CQSZACIVSA-N 1 0 290.411 0.744 20 10 CCCDRO CN(C)c1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000122463041 616244942 /nfs/dbraw/zinc/24/49/42/616244942.db2.gz PIJKNCGHVLKPNZ-OAHLLOKOSA-N 1 0 262.401 0.827 20 10 CCCDRO CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903276800 616249316 /nfs/dbraw/zinc/24/93/16/616249316.db2.gz CCRVYKACEXWHPP-CJNGLKHVSA-N 1 0 292.379 0.662 20 10 CCCDRO COCC[C@@H]([NH3+])Cc1cn(-c2ccc(N)cc2)nn1 ZINC000864619213 616638467 /nfs/dbraw/zinc/63/84/67/616638467.db2.gz BEZVUCFXVSFUOZ-LLVKDONJSA-N 1 0 261.329 0.756 20 10 CCCDRO C[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842154251 616959081 /nfs/dbraw/zinc/95/90/81/616959081.db2.gz SFTABGFMEFYCFO-UHFFFAOYSA-N 1 0 292.383 0.013 20 10 CCCDRO Nc1ccc(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000892038265 625041210 /nfs/dbraw/zinc/04/12/10/625041210.db2.gz BZOYJPARBOITAF-OKILXGFUSA-N 1 0 274.368 0.957 20 10 CCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1ccc(N)cc1 ZINC000892038689 625043377 /nfs/dbraw/zinc/04/33/77/625043377.db2.gz HKUJDLMZWJPVLB-ZWNOBZJWSA-N 1 0 262.357 0.942 20 10 CCCDRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccccc1O ZINC000925797170 631251269 /nfs/dbraw/zinc/25/12/69/631251269.db2.gz PHVWLKWSNSLOQB-NWDGAFQWSA-N 1 0 298.408 0.820 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000897285412 632463041 /nfs/dbraw/zinc/46/30/41/632463041.db2.gz XIGZBLUDAJUPRC-LBPRGKRZSA-N 1 0 297.380 0.035 20 10 CCCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905480197 634865480 /nfs/dbraw/zinc/86/54/80/634865480.db2.gz DWVLCLYSLLKJGI-LBPRGKRZSA-N 1 0 291.395 0.859 20 10 CCCDRO Cc1ccc(C(=O)N(C)CC[N@H+](C)CCO)c(O)c1O ZINC000912607530 636617893 /nfs/dbraw/zinc/61/78/93/636617893.db2.gz HHLVHIWJHCZBDG-UHFFFAOYSA-N 1 0 282.340 0.402 20 10 CCCDRO O=C(COC1CC[NH2+]CC1)NCc1ccccc1O ZINC000228421520 637058326 /nfs/dbraw/zinc/05/83/26/637058326.db2.gz SYUFQPOKUGCNNV-UHFFFAOYSA-N 1 0 264.325 0.777 20 10 CCCDRO C[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918852849 638042699 /nfs/dbraw/zinc/04/26/99/638042699.db2.gz XSZRYIAAAYFYTP-GFCCVEGCSA-N 1 0 277.368 0.435 20 10 CCCDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000828833668 642123209 /nfs/dbraw/zinc/12/32/09/642123209.db2.gz JBXMKWPUIHVPFM-QWHCGFSZSA-N 1 0 293.411 0.975 20 10 CCCDRO Nc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000832250405 642466130 /nfs/dbraw/zinc/46/61/30/642466130.db2.gz PSULIPZMJAUNKV-GFCCVEGCSA-N 1 0 286.339 0.865 20 10 CCCDRO [NH3+]CCN(CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841059041 642802031 /nfs/dbraw/zinc/80/20/31/642802031.db2.gz KFLHQZRTYLFILG-UHFFFAOYSA-N 1 0 297.374 0.415 20 10 CCCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955785 642860834 /nfs/dbraw/zinc/86/08/34/642860834.db2.gz NHFZBHLGYKRXDQ-UWVGGRQHSA-N 1 0 250.346 0.846 20 10 CCCDRO Nc1ccc(CCNC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000841956113 642861044 /nfs/dbraw/zinc/86/10/44/642861044.db2.gz VLJWOTGVSKTENY-ZDUSSCGKSA-N 1 0 262.357 0.944 20 10 CCCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCN1C(=O)CNC1=O ZINC000843350145 643036227 /nfs/dbraw/zinc/03/62/27/643036227.db2.gz KEBUKKMBXNSTCO-UHFFFAOYSA-N 1 0 288.351 0.450 20 10 CCCDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000846047001 643375475 /nfs/dbraw/zinc/37/54/75/643375475.db2.gz RJXWLHBSYOEIRE-OTSSQURYSA-N 1 0 264.281 0.474 20 10 CCCDRO Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(O)c1O ZINC000863320150 645079983 /nfs/dbraw/zinc/07/99/83/645079983.db2.gz KQUBIMNUGWTKMT-SNVBAGLBSA-N 1 0 280.324 0.203 20 10 CCCDRO [NH3+]Cc1cc(=O)[nH]c(CNCc2ccc3c(c2)CCO3)n1 ZINC000863648598 645114006 /nfs/dbraw/zinc/11/40/06/645114006.db2.gz BBFUDCJIYUSIPT-UHFFFAOYSA-N 1 0 286.335 0.866 20 10 CCCDRO C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccccc1O ZINC000870988694 646073793 /nfs/dbraw/zinc/07/37/93/646073793.db2.gz XETUMKDMVMWKAA-JQWIXIFHSA-N 1 0 265.357 0.848 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000877169736 646746468 /nfs/dbraw/zinc/74/64/68/646746468.db2.gz UHMSDXAXRDSENB-UHFFFAOYSA-N 1 0 289.335 0.875 20 10 CCCDRO Cc1cc(Cn2cc(C[C@H]([NH3+])CO)nn2)ccc1N(C)C ZINC000881377329 647307244 /nfs/dbraw/zinc/30/72/44/647307244.db2.gz JXUCUSMNGKNYPI-ZDUSSCGKSA-N 1 0 289.383 0.563 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC(=O)N2)c1 ZINC000079910774 649528756 /nfs/dbraw/zinc/52/87/56/649528756.db2.gz KTXMMDDIXNDZMJ-JTQLQIEISA-N 1 0 250.298 0.769 20 10 CCCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1=O ZINC000090027709 649666641 /nfs/dbraw/zinc/66/66/41/649666641.db2.gz LYUUSPZFSIIKCJ-SECBINFHSA-N 1 0 292.291 0.358 20 10 CCCDRO O=C1CC2(CN1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233010017 806004103 /nfs/dbraw/zinc/00/41/03/806004103.db2.gz HKCDPORDYZZHLK-UHFFFAOYSA-N 1 0 292.335 0.906 20 10 CCCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001233332616 806043883 /nfs/dbraw/zinc/04/38/83/806043883.db2.gz RJBIQTDEFMQAOZ-KCJUWKMLSA-N 1 0 273.279 0.846 20 10 CCCDRO Oc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234980088 806323046 /nfs/dbraw/zinc/32/30/46/806323046.db2.gz FPTDAVKMRNYZAM-AWEZNQCLSA-N 1 0 263.341 0.235 20 10 CCCDRO Oc1c(F)cccc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235055734 806358887 /nfs/dbraw/zinc/35/88/87/806358887.db2.gz WSVWJCYHLUBJDS-AWEZNQCLSA-N 1 0 265.332 0.669 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(O)c(O)c(OC)c1 ZINC001236052929 806536360 /nfs/dbraw/zinc/53/63/60/806536360.db2.gz JZLICPVLJDBUPL-JTQLQIEISA-N 1 0 296.323 0.053 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236300221 806562893 /nfs/dbraw/zinc/56/28/93/806562893.db2.gz XXQUSVYISLGART-OLZOCXBDSA-N 1 0 276.336 0.511 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2cc(F)cc(C)c2O)C[C@H]1[NH3+] ZINC001236363212 806587738 /nfs/dbraw/zinc/58/77/38/806587738.db2.gz ZTNYFMGNLIWKHL-VXGBXAGGSA-N 1 0 282.315 0.772 20 10 CCCDRO COc1cc(CN2CC(C)(O)C2)c(O)c(OC)c1 ZINC001237675526 806709011 /nfs/dbraw/zinc/70/90/11/806709011.db2.gz YBDIHXBNUUITRP-UHFFFAOYSA-N 1 0 253.298 0.976 20 10 CCCDRO COc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237668314 806709111 /nfs/dbraw/zinc/70/91/11/806709111.db2.gz BZXAHCRLOXPFMV-ZYHUDNBSSA-N 1 0 283.324 0.194 20 10 CCCDRO [NH3+]CCS(=O)(=O)Nc1ccc(O)cc1Br ZINC001237718915 806713595 /nfs/dbraw/zinc/71/35/95/806713595.db2.gz RGKORJBECQZVJK-UHFFFAOYSA-N 1 0 295.158 0.855 20 10 CCCDRO C[C@@]1(C(=O)NCc2ccccc2O)C[C@H](O)C[NH2+]1 ZINC001121951930 799105890 /nfs/dbraw/zinc/10/58/90/799105890.db2.gz RVZKEZPPSMFKBQ-GWCFXTLKSA-N 1 0 250.298 0.121 20 10 CCCDRO C[C@@H](NC(=O)[C@H]([NH3+])CO)c1ccc(N2CCOCC2)cc1 ZINC001121988444 799114517 /nfs/dbraw/zinc/11/45/17/799114517.db2.gz LHHMONDGAFITRB-BXUZGUMPSA-N 1 0 293.367 0.020 20 10 CCCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)c1 ZINC001123939172 799510706 /nfs/dbraw/zinc/51/07/06/799510706.db2.gz IRNBXFDPQJQCCN-OCCSQVGLSA-N 1 0 289.379 0.705 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001140744317 799937373 /nfs/dbraw/zinc/93/73/73/799937373.db2.gz TYTZEYLMLXLOJJ-JQWIXIFHSA-N 1 0 253.298 0.191 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC001140744403 799937976 /nfs/dbraw/zinc/93/79/76/799937976.db2.gz WLJXFMAOZSJRDS-LLVKDONJSA-N 1 0 253.298 0.599 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031983 799973708 /nfs/dbraw/zinc/97/37/08/799973708.db2.gz PICYJXGZMSGISG-TVQRCGJNSA-N 1 0 283.324 0.194 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)ccc21 ZINC001141140244 799984178 /nfs/dbraw/zinc/98/41/78/799984178.db2.gz JUPVAASVYKMGSH-HIFRSBDPSA-N 1 0 292.379 0.690 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)ccc21 ZINC001141140988 799984843 /nfs/dbraw/zinc/98/48/43/799984843.db2.gz RHVUDWWAWAUKDV-UKRRQHHQSA-N 1 0 292.379 0.690 20 10 CCCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162912 799986630 /nfs/dbraw/zinc/98/66/30/799986630.db2.gz KIOUSAYPJPZDKL-LBPRGKRZSA-N 1 0 281.308 0.862 20 10 CCCDRO Oc1cc2c(cc1CN1CC[C@@H]3C[NH2+]C[C@@H]31)OCO2 ZINC000841027131 800066124 /nfs/dbraw/zinc/06/61/24/800066124.db2.gz XFDZPIFMGFHYKS-KOLCDFICSA-N 1 0 262.309 0.915 20 10 CCCDRO C[NH+](C)C1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001142523063 800128073 /nfs/dbraw/zinc/12/80/73/800128073.db2.gz SVUJOCZTEZOZEU-UHFFFAOYSA-N 1 0 264.325 0.851 20 10 CCCDRO C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047291 800587904 /nfs/dbraw/zinc/58/79/04/800587904.db2.gz AGRHLERCKRVNLU-SECBINFHSA-N 1 0 293.327 0.549 20 10 CCCDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC001157344430 801359764 /nfs/dbraw/zinc/35/97/64/801359764.db2.gz KVLCTYYIKWIMOE-ZDUSSCGKSA-N 1 0 292.383 0.171 20 10 CCCDRO O=C(N1CCc2cccc(O)c2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160872915 802037057 /nfs/dbraw/zinc/03/70/57/802037057.db2.gz PWHGGZJZVVFZBW-WBMJQRKESA-N 1 0 287.363 0.228 20 10 CCCDRO N[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001206675121 802165656 /nfs/dbraw/zinc/16/56/56/802165656.db2.gz HEGXJPJNWZBOSQ-LLVKDONJSA-N 1 0 274.267 0.972 20 10 CCCDRO [NH3+]CCN(CCO)c1ccc2c(c1)[C@@H](O)CCO2 ZINC001163836980 802622787 /nfs/dbraw/zinc/62/27/87/802622787.db2.gz PJBGFSZFWPZMNT-LBPRGKRZSA-N 1 0 252.314 0.260 20 10 CCCDRO NC(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272863 803075176 /nfs/dbraw/zinc/07/51/76/803075176.db2.gz UHLMIDNYNZADKC-UHFFFAOYSA-N 1 0 265.313 0.731 20 10 CCCDRO CN1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)C1=O ZINC001204280676 803076051 /nfs/dbraw/zinc/07/60/51/803076051.db2.gz BMKWCSNBJJWZKW-UHFFFAOYSA-N 1 0 262.309 0.762 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)C[C@H]1O ZINC001205369824 803138372 /nfs/dbraw/zinc/13/83/72/803138372.db2.gz JDDUYPLLSSFAPQ-MWLCHTKSSA-N 1 0 276.258 0.915 20 10 CCCDRO COc1cc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530595 803260918 /nfs/dbraw/zinc/26/09/18/803260918.db2.gz MJVAREYVNDEMEE-CABZTGNLSA-N 1 0 286.759 0.806 20 10 CCCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCc2cc(O)c(O)cc2O)C1 ZINC001220115451 804502777 /nfs/dbraw/zinc/50/27/77/804502777.db2.gz NPUHRLQGEIYIAB-ONGXEEELSA-N 1 0 294.351 0.850 20 10 CCCDRO C[C@@]1(C(=O)NCCc2cc(O)c(O)cc2O)CC[NH2+]C1 ZINC001220114878 804502891 /nfs/dbraw/zinc/50/28/91/804502891.db2.gz AMCPOWKDCGLGMT-CQSZACIVSA-N 1 0 280.324 0.462 20 10 CCCDRO Oc1cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc(O)c1O ZINC001222507585 804909088 /nfs/dbraw/zinc/90/90/88/804909088.db2.gz ZPLKOJKKNKRTNX-RYUDHWBXSA-N 1 0 293.367 0.329 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CN1 ZINC001246276595 807206124 /nfs/dbraw/zinc/20/61/24/807206124.db2.gz DFUOPPMICFOGSS-UWVGGRQHSA-N 1 0 266.297 0.091 20 10 CCCDRO O=C(CNC1CC[NH2+]CC1)c1ccc(O)c(O)c1 ZINC001246294449 807210989 /nfs/dbraw/zinc/21/09/89/807210989.db2.gz VKAGMVKVNYSDMY-UHFFFAOYSA-N 1 0 250.298 0.622 20 10 CCCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)CN1CCOCC1 ZINC001251022104 807642455 /nfs/dbraw/zinc/64/24/55/807642455.db2.gz WMHZNODTKHFEGY-HNNXBMFYSA-N 1 0 294.395 0.907 20 10 CCCDRO CC[NH+](CC)C[C@H](O)CNCC(=O)c1ccc(O)c(O)c1 ZINC001253209730 808033063 /nfs/dbraw/zinc/03/30/63/808033063.db2.gz HZFPHQQOYZLPTL-GFCCVEGCSA-N 1 0 296.367 0.573 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001263100882 809442731 /nfs/dbraw/zinc/44/27/31/809442731.db2.gz BEXAPJMUVVYWJD-HNNXBMFYSA-N 1 0 290.411 0.581 20 10 CCCDRO Nc1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC001263304325 809506147 /nfs/dbraw/zinc/50/61/47/809506147.db2.gz YZGWQCXWRSNIMK-ZDUSSCGKSA-N 1 0 263.341 0.654 20 10 CCCDRO CNC(=O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001126170133 812045990 /nfs/dbraw/zinc/04/59/90/812045990.db2.gz WKGLCNWYCQCSOW-UHFFFAOYSA-N 1 0 293.367 0.346 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2ccc(O)cc2O)C[C@H]1[NH3+] ZINC001236346855 817274034 /nfs/dbraw/zinc/27/40/34/817274034.db2.gz VOQMOGLBGQXSNV-GHMZBOCLSA-N 1 0 266.297 0.030 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1[NH3+] ZINC001236348876 817276589 /nfs/dbraw/zinc/27/65/89/817276589.db2.gz NEXROECZWNXIIE-QWRGUYRKSA-N 1 0 268.288 0.463 20 10 CCCDRO CN(C)C(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000700803313 818847461 /nfs/dbraw/zinc/84/74/61/818847461.db2.gz DTQTYGMZCIRXAX-UHFFFAOYSA-N 1 0 277.368 0.598 20 10 CCCDRO Cn1nnc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000700946080 818868828 /nfs/dbraw/zinc/86/88/28/818868828.db2.gz GUTAXFYMBHFEHI-UHFFFAOYSA-N 1 0 258.329 0.622 20 10 CCCDRO CC1([NH3+])CN(C(=O)CCc2ccc(O)c(O)c2)C1 ZINC001157643947 837194886 /nfs/dbraw/zinc/19/48/86/837194886.db2.gz JFUYPQFDMOBXDM-UHFFFAOYSA-N 1 0 250.298 0.590 20 10 CCCDRO CNC(=O)CN(C)Cc1cc2c(cc1O)OCO2 ZINC000105672510 838577560 /nfs/dbraw/zinc/57/75/60/838577560.db2.gz YVXSNOLNPMJIPF-UHFFFAOYSA-N 1 0 252.270 0.299 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[N@@H+](C)CCN2C)c(O)c1 ZINC001185266933 844390503 /nfs/dbraw/zinc/39/05/03/844390503.db2.gz JRXIOWWBRQGSBN-AWEZNQCLSA-N 1 0 291.395 0.871 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001203620987 844437610 /nfs/dbraw/zinc/43/76/10/844437610.db2.gz LXZWTRHQSDVESB-LSDHHAIUSA-N 1 0 281.352 0.966 20 10 CCCDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(N)cccc1OC ZINC001170872639 839474385 /nfs/dbraw/zinc/47/43/85/839474385.db2.gz SGZGAHZHQHFVMD-MWLCHTKSSA-N 1 0 279.340 0.840 20 10 CCCDRO CN1CCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001144519889 840070734 /nfs/dbraw/zinc/07/07/34/840070734.db2.gz CGZUIMNARQOQQK-UHFFFAOYSA-N 1 0 278.308 0.468 20 10 CCCDRO O=C1NC2(CO1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144515412 840073922 /nfs/dbraw/zinc/07/39/22/840073922.db2.gz NRAGUHSFHQYKRP-UHFFFAOYSA-N 1 0 294.307 0.878 20 10 CCCDRO CCOC(=O)CN(CCOCCO)Cc1ccccc1O ZINC001195358247 846513942 /nfs/dbraw/zinc/51/39/42/846513942.db2.gz MQEKCRAEWCNTSJ-UHFFFAOYSA-N 1 0 297.351 0.766 20 10 CCCDRO O=C1COCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203876023 846896688 /nfs/dbraw/zinc/89/66/88/846896688.db2.gz ZSRRZXIYBFMBAG-UHFFFAOYSA-N 1 0 292.335 0.579 20 10 CCCDRO CCOC[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252045578 847704222 /nfs/dbraw/zinc/70/42/22/847704222.db2.gz PEHNTSWZRKHQEF-LLVKDONJSA-N 1 0 255.314 0.627 20 10 CCCDRO CCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252771919 848072865 /nfs/dbraw/zinc/07/28/65/848072865.db2.gz XEQVHNOLHXNXOJ-GWCFXTLKSA-N 1 0 255.314 0.882 20 10 CCCDRO CO[C@@]1(C[NH2+]Cc2ccccc2O)CCS(=O)(=O)C1 ZINC000721185917 849617671 /nfs/dbraw/zinc/61/76/71/849617671.db2.gz JGRZZMTVYAHJII-CYBMUJFWSA-N 1 0 285.365 0.686 20 10 CCCDRO CC1(C)C[N@H+](Cc2ccccc2O)CCN1CC(N)=O ZINC001203555711 897742171 /nfs/dbraw/zinc/74/21/71/897742171.db2.gz DDOXWHUCPDOUHL-UHFFFAOYSA-N 1 0 277.368 0.774 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(C)=O)cc1C ZINC001486255971 898729597 /nfs/dbraw/zinc/72/95/97/898729597.db2.gz WORHKKJFUZSTRC-CQSZACIVSA-N 1 0 280.368 0.932 20 10 CCCDRO COC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001338521431 921498136 /nfs/dbraw/zinc/49/81/36/921498136.db2.gz OMRFJFBNIUTPFS-JSGCOSHPSA-N 1 0 280.368 0.871 20 10 CCCDRO C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC001333602489 919035038 /nfs/dbraw/zinc/03/50/38/919035038.db2.gz LVMAGZMNUNXRKM-MVVXRAEJSA-N 1 0 261.325 0.970 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC001333643293 919064777 /nfs/dbraw/zinc/06/47/77/919064777.db2.gz NWOLKJXFIKEXIE-GXSJLCMTSA-N 1 0 252.314 0.933 20 10 CCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC001339836340 921843969 /nfs/dbraw/zinc/84/39/69/921843969.db2.gz GTPRHTOEQYBSGT-GWCFXTLKSA-N 1 0 266.341 0.567 20 10 CCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC001340917901 922277756 /nfs/dbraw/zinc/27/77/56/922277756.db2.gz RBICAMKRFPHAIC-NRUUGDAUSA-N 1 0 266.341 0.786 20 10 CCCDRO [NH3+]CCNCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001340986640 922306564 /nfs/dbraw/zinc/30/65/64/922306564.db2.gz LIAGVEFZWKXIHG-UHFFFAOYSA-N 1 0 277.368 0.436 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001341613539 922579276 /nfs/dbraw/zinc/57/92/76/922579276.db2.gz IBNCUVKNJBDQDT-ZBFHGGJFSA-N 1 0 291.395 0.790 20 10 CCCDRO CCO[C@@H](CNC(=O)Cc1ccc(N)cc1)C[NH+](C)C ZINC001342667181 923047406 /nfs/dbraw/zinc/04/74/06/923047406.db2.gz ZZMKSJRPHJWBKL-AWEZNQCLSA-N 1 0 279.384 0.894 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)c(O)c1 ZINC001353859209 925946214 /nfs/dbraw/zinc/94/62/14/925946214.db2.gz RFNPSBCWUDISSM-MBNYWOFBSA-N 1 0 276.336 0.873 20 10 CCCDRO Nc1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001357791634 926598367 /nfs/dbraw/zinc/59/83/67/926598367.db2.gz OLXTWLQIKYFBFF-LBPRGKRZSA-N 1 0 264.329 0.138 20 10 CCCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2c(O)cccc2F)C1 ZINC001358168131 926649415 /nfs/dbraw/zinc/64/94/15/926649415.db2.gz OIHUJWDKYKXSGN-LKFCYVNXSA-N 1 0 282.315 0.915 20 10 CCCDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001448686237 930946660 /nfs/dbraw/zinc/94/66/60/930946660.db2.gz BJPNXFDNVJZIIX-UHFFFAOYSA-N 1 0 276.336 0.804 20 10 CCCDRO COc1cc(N2CC[NH+](CCO)CC2)cc(OC)c1OC ZINC000049901055 348461055 /nfs/dbraw/zinc/46/10/55/348461055.db2.gz IJTYUYODROBXBP-UHFFFAOYSA-N 1 0 296.367 0.827 20 10 CCCDRO C[NH+]1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000077450244 349110641 /nfs/dbraw/zinc/11/06/41/349110641.db2.gz QUTAPHWEBJADSB-UHFFFAOYSA-N 1 0 295.339 0.847 20 10 CCCDRO CN(Cc1nncn1C)Cc1cc2c(cc1O)OCO2 ZINC000288646799 388864733 /nfs/dbraw/zinc/86/47/33/388864733.db2.gz QSDFOZUFLMXUHG-UHFFFAOYSA-N 1 0 276.296 0.881 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372359479 389449894 /nfs/dbraw/zinc/44/98/94/389449894.db2.gz LEBNNJRDRPVTKE-CQSZACIVSA-N 1 0 289.379 0.741 20 10 CCCDRO Cc1cc(Cl)cc(CN2CCN(CC(N)=O)CC2)c1O ZINC000179638450 389661111 /nfs/dbraw/zinc/66/11/11/389661111.db2.gz MBYVEZZFSMMEJE-UHFFFAOYSA-N 1 0 297.786 0.957 20 10 CCCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1O ZINC000179875008 389664126 /nfs/dbraw/zinc/66/41/26/389664126.db2.gz CULYWFYYTGUWBR-SECBINFHSA-N 1 0 263.297 0.595 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649347620 390600243 /nfs/dbraw/zinc/60/02/43/390600243.db2.gz JDAOPTIAJVZAJL-JYAVWHMHSA-N 1 0 287.363 0.943 20 10 CCCDRO CCN(C)C(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000185177536 327837294 /nfs/dbraw/zinc/83/72/94/327837294.db2.gz QRKBFBCBHXOPLN-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO CCOc1ccc(C[NH2+]C[C@H]2COCCN2)c(O)c1 ZINC000530182724 328696227 /nfs/dbraw/zinc/69/62/27/328696227.db2.gz YQFQCPYJPKANHN-LBPRGKRZSA-N 1 0 266.341 0.869 20 10 CCCDRO Nc1ccc(CC(=O)NCC[NH+]2CCSCC2)cc1 ZINC000226389327 333259353 /nfs/dbraw/zinc/25/93/53/333259353.db2.gz KHVNFSHKZGCPLL-UHFFFAOYSA-N 1 0 279.409 0.976 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529373309 333483865 /nfs/dbraw/zinc/48/38/65/333483865.db2.gz ILJMMHIYXKOBIL-LBPRGKRZSA-N 1 0 279.340 0.522 20 10 CCCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)N1CCOCC1 ZINC000272075566 334749373 /nfs/dbraw/zinc/74/93/73/334749373.db2.gz QEARSUFTQIPLEY-UHFFFAOYSA-N 1 0 284.743 0.994 20 10 CCCDRO COc1c(O)c(C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278294464 521875477 /nfs/dbraw/zinc/87/54/77/521875477.db2.gz VEIUKKFVNYHMKQ-VIFPVBQESA-N 1 0 268.269 0.876 20 10 CCCDRO COc1ccc(O)c(C[NH2+]CC(=O)NC2CC2)c1 ZINC000036782247 524749862 /nfs/dbraw/zinc/74/98/62/524749862.db2.gz OOADLLONOUFMTH-UHFFFAOYSA-N 1 0 250.298 0.769 20 10 CCCDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000794749105 581387059 /nfs/dbraw/zinc/38/70/59/581387059.db2.gz YLBQMUWJLIUETI-HNNXBMFYSA-N 1 0 298.358 0.495 20 10 CCCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1C ZINC000785985053 581426420 /nfs/dbraw/zinc/42/64/20/581426420.db2.gz KFDWVTCZNLNCKW-LBPRGKRZSA-N 1 0 284.381 0.872 20 10 CCCDRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000769484167 581692271 /nfs/dbraw/zinc/69/22/71/581692271.db2.gz SNDJOGIXAHUTRP-OCCSQVGLSA-N 1 0 278.352 0.916 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1 ZINC000776010024 582049277 /nfs/dbraw/zinc/04/92/77/582049277.db2.gz PCFMGQZMLDEOSA-RYUDHWBXSA-N 1 0 267.325 0.718 20 10 CCCDRO C[C@@H]([NH3+])CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863567947 617175177 /nfs/dbraw/zinc/17/51/77/617175177.db2.gz HIICVBJITCRUTI-CYBMUJFWSA-N 1 0 292.427 0.990 20 10 CCCDRO COc1cc(C)cc(C[NH2+]C2(C(N)=O)CC2)c1O ZINC000894454736 617175451 /nfs/dbraw/zinc/17/54/51/617175451.db2.gz WBAWSKSKSDQIJB-UHFFFAOYSA-N 1 0 250.298 0.817 20 10 CCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C[NH3+])OC)C2)cc1 ZINC000884398157 617267877 /nfs/dbraw/zinc/26/78/77/617267877.db2.gz XDGZKVKNOXLZRF-RISCZKNCSA-N 1 0 293.367 0.364 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C[NH3+])C2)cc1 ZINC000851639373 617268267 /nfs/dbraw/zinc/26/82/67/617268267.db2.gz DTBMRTMODGYPOT-NEPJUHHUSA-N 1 0 277.368 0.985 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852886251 617273922 /nfs/dbraw/zinc/27/39/22/617273922.db2.gz ZNGUAOMMDKDWFS-WCBMZHEXSA-N 1 0 293.323 0.682 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748813 617272642 /nfs/dbraw/zinc/27/26/42/617272642.db2.gz BJKSABTZHGKBGZ-OLZOCXBDSA-N 1 0 253.298 0.328 20 10 CCCDRO COc1cccc(CNC(=O)N[C@H]2CCC[NH2+]C2)c1O ZINC000841940351 617298866 /nfs/dbraw/zinc/29/88/66/617298866.db2.gz DEHLOHJLOMCZCP-NSHDSACASA-N 1 0 279.340 0.952 20 10 CCCDRO COc1cccc(C[NH2+]CCCn2cc(CO)nn2)c1O ZINC000810162298 617299929 /nfs/dbraw/zinc/29/99/29/617299929.db2.gz CBXLXUGYQPUKCT-UHFFFAOYSA-N 1 0 292.339 0.665 20 10 CCCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764593 617305295 /nfs/dbraw/zinc/30/52/95/617305295.db2.gz JUZQOTGYZJTEJX-PHIMTYICSA-N 1 0 267.325 0.433 20 10 CCCDRO CC(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281117 613711590 /nfs/dbraw/zinc/71/15/90/613711590.db2.gz SGHRLDSPEXNIHG-ZDUSSCGKSA-N 1 0 278.356 0.005 20 10 CCCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1ccc(N)cc1 ZINC000843342856 614223760 /nfs/dbraw/zinc/22/37/60/614223760.db2.gz QOPDQMCFRNETSA-AWEZNQCLSA-N 1 0 292.383 0.027 20 10 CCCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000895318118 614691778 /nfs/dbraw/zinc/69/17/78/614691778.db2.gz RTEXFVHVFBKGSJ-LBPRGKRZSA-N 1 0 278.308 0.735 20 10 CCCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000815099939 614921364 /nfs/dbraw/zinc/92/13/64/614921364.db2.gz IXGQAHKDDYSMDZ-OAHLLOKOSA-N 1 0 277.368 0.565 20 10 CCCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(C(N)=O)CC2)cc1 ZINC000829506877 614921393 /nfs/dbraw/zinc/92/13/93/614921393.db2.gz ZOJNHIRYFXNRPH-UHFFFAOYSA-N 1 0 291.395 0.955 20 10 CCCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000898359231 615240106 /nfs/dbraw/zinc/24/01/06/615240106.db2.gz NNJDPQOWZIGBFB-CHWSQXEVSA-N 1 0 294.351 0.931 20 10 CCCDRO CCNC(=O)C1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000839138712 615456190 /nfs/dbraw/zinc/45/61/90/615456190.db2.gz PJYBGLLFGWYUBW-UHFFFAOYSA-N 1 0 264.325 0.969 20 10 CCCDRO CN(C)c1ccc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1 ZINC000924446504 615949549 /nfs/dbraw/zinc/94/95/49/615949549.db2.gz VPXRBLISLXYTGS-CYBMUJFWSA-N 1 0 290.367 0.735 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000040825931 616014669 /nfs/dbraw/zinc/01/46/69/616014669.db2.gz NBHYKCAXIZEFKV-UHFFFAOYSA-N 1 0 276.384 0.274 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000841654084 616015208 /nfs/dbraw/zinc/01/52/08/616015208.db2.gz MRIGDUVZCYWNPO-AWEZNQCLSA-N 1 0 292.383 0.540 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901054084 616171080 /nfs/dbraw/zinc/17/10/80/616171080.db2.gz AEFJMIVOSOJHIO-DOMZBBRYSA-N 1 0 278.352 0.806 20 10 CCCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2O)C1 ZINC000901125497 616202028 /nfs/dbraw/zinc/20/20/28/616202028.db2.gz YDKKPHFHWCXTIQ-OAHLLOKOSA-N 1 0 278.352 0.855 20 10 CCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCO)cc2)CC1 ZINC000902966352 616247013 /nfs/dbraw/zinc/24/70/13/616247013.db2.gz TZFBITBFZQPLNV-UHFFFAOYSA-N 1 0 277.368 0.437 20 10 CCCDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879651751 616596165 /nfs/dbraw/zinc/59/61/65/616596165.db2.gz JPBFHTQPCONIOA-JTQLQIEISA-N 1 0 280.324 0.722 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000884309876 616637865 /nfs/dbraw/zinc/63/78/65/616637865.db2.gz IAEJWSAEBIMWPT-BXKDBHETSA-N 1 0 282.340 0.942 20 10 CCCDRO COC[C@]1(C(=O)NCc2ccc(OC)cc2O)CC[NH2+]C1 ZINC000818000395 616850712 /nfs/dbraw/zinc/85/07/12/616850712.db2.gz PWJNVMNOEGEOIB-HNNXBMFYSA-N 1 0 294.351 0.643 20 10 CCCDRO CO[C@@]1(C[NH2+]Cc2c(C)cccc2O)CCS(=O)(=O)C1 ZINC000896683689 616944150 /nfs/dbraw/zinc/94/41/50/616944150.db2.gz UQKZYTSXLLIFLY-CQSZACIVSA-N 1 0 299.392 0.994 20 10 CCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036166 616952981 /nfs/dbraw/zinc/95/29/81/616952981.db2.gz KQFJSKHRULDTAE-UHFFFAOYSA-N 1 0 292.383 0.047 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1cccc(OC)c1O ZINC000179411560 625342211 /nfs/dbraw/zinc/34/22/11/625342211.db2.gz CGIQSHHKEXSZKU-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO C[C@H](CC(N)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000161583356 622877128 /nfs/dbraw/zinc/87/71/28/622877128.db2.gz BQKLLQQPEYWZPC-SSDOTTSWSA-N 1 0 252.270 0.474 20 10 CCCDRO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1O ZINC000045066873 624759218 /nfs/dbraw/zinc/75/92/18/624759218.db2.gz PZYQBJCXELHQDC-VIFPVBQESA-N 1 0 258.343 0.721 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]CCN(C)CCOCCO ZINC000895663432 632123714 /nfs/dbraw/zinc/12/37/14/632123714.db2.gz XTUYVHPZEYZEHS-UHFFFAOYSA-N 1 0 282.384 0.731 20 10 CCCDRO Cc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)c(O)c1 ZINC000896460681 632253277 /nfs/dbraw/zinc/25/32/77/632253277.db2.gz QTLWHFWZLXQKMB-HNNXBMFYSA-N 1 0 280.368 0.483 20 10 CCCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1CS(N)(=O)=O ZINC000897609188 633213004 /nfs/dbraw/zinc/21/30/04/633213004.db2.gz FFCYPKJZWJYYFW-PWSUYJOCSA-N 1 0 284.381 0.749 20 10 CCCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1 ZINC000164233809 636863083 /nfs/dbraw/zinc/86/30/83/636863083.db2.gz QTOVHDNYEFBTOX-LBPRGKRZSA-N 1 0 264.325 0.695 20 10 CCCDRO Cc1cccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1O ZINC000802654494 640700665 /nfs/dbraw/zinc/70/06/65/640700665.db2.gz KJYQWUZNRFPMKG-UHFFFAOYSA-N 1 0 284.381 0.870 20 10 CCCDRO C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817945712 641281302 /nfs/dbraw/zinc/28/13/02/641281302.db2.gz KDNOMPXQZKSJTE-VIFPVBQESA-N 1 0 299.321 0.753 20 10 CCCDRO Cc1cccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000826942370 641969454 /nfs/dbraw/zinc/96/94/54/641969454.db2.gz PCZAJHVMFZKAQK-HNNXBMFYSA-N 1 0 281.352 0.958 20 10 CCCDRO OCCO[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000826942650 641969568 /nfs/dbraw/zinc/96/95/68/641969568.db2.gz RRQNFJWGKCKYMI-AWEZNQCLSA-N 1 0 285.315 0.789 20 10 CCCDRO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000834845690 642639848 /nfs/dbraw/zinc/63/98/48/642639848.db2.gz DLTWWQJZQYSABT-LLVKDONJSA-N 1 0 269.295 0.925 20 10 CCCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000840920111 642797045 /nfs/dbraw/zinc/79/70/45/642797045.db2.gz BRLPBTZUZIBHRP-GASCZTMLSA-N 1 0 264.369 0.989 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(OCCO)CCOC2)c1 ZINC000850358486 643798840 /nfs/dbraw/zinc/79/88/40/643798840.db2.gz QLWMQHSVDTUTBF-OAHLLOKOSA-N 1 0 281.352 0.958 20 10 CCCDRO [NH3+]CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868733 644032852 /nfs/dbraw/zinc/03/28/52/644032852.db2.gz LOEVLNMKTXPESP-UHFFFAOYSA-N 1 0 277.368 0.613 20 10 CCCDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccccc1O ZINC000852882872 644041531 /nfs/dbraw/zinc/04/15/31/644041531.db2.gz BTCFDCZXSLHZLP-ZYHUDNBSSA-N 1 0 250.298 0.372 20 10 CCCDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000858249728 644602837 /nfs/dbraw/zinc/60/28/37/644602837.db2.gz VFJACJNJKHLMBQ-HDJSIYSDSA-N 1 0 289.379 0.877 20 10 CCCDRO OCC[NH+](CCO)Cc1ccc(Br)cc1O ZINC000862430243 644999320 /nfs/dbraw/zinc/99/93/20/644999320.db2.gz RSSXRWMXVGSSPO-UHFFFAOYSA-N 1 0 290.157 0.941 20 10 CCCDRO Cc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000862758145 645034445 /nfs/dbraw/zinc/03/44/45/645034445.db2.gz QFTCBLWSVZZOJC-CQSZACIVSA-N 1 0 289.379 0.707 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000876771887 646661655 /nfs/dbraw/zinc/66/16/55/646661655.db2.gz BQLFDRVAKRCMKU-LBPRGKRZSA-N 1 0 278.352 0.726 20 10 CCCDRO C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)c1ccccc1O ZINC000877255501 646771039 /nfs/dbraw/zinc/77/10/39/646771039.db2.gz FFVSLYCTHVEFGP-QMTHXVAHSA-N 1 0 264.325 0.948 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccccc1O ZINC000877255654 646771077 /nfs/dbraw/zinc/77/10/77/646771077.db2.gz GOZGTGPAOCBPIP-SUZMYJTESA-N 1 0 264.325 0.933 20 10 CCCDRO [O-]c1c(C[N@H+]2CCC(CO)(CO)C2)ccc(F)c1F ZINC000877632982 646830792 /nfs/dbraw/zinc/83/07/92/646830792.db2.gz UPYXUQRSSMCSGP-UHFFFAOYSA-N 1 0 273.279 0.847 20 10 CCCDRO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)c(O)c1 ZINC000877644711 646831962 /nfs/dbraw/zinc/83/19/62/646831962.db2.gz QXLUKTCGVQKKSC-CYBMUJFWSA-N 1 0 250.342 0.809 20 10 CCCDRO Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)c(O)c1 ZINC000877661851 646833481 /nfs/dbraw/zinc/83/34/81/646833481.db2.gz IUXPOQCSJNSEDH-ZDUSSCGKSA-N 1 0 250.342 0.857 20 10 CCCDRO Oc1cc2c(cc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1)OCO2 ZINC000877749512 646838284 /nfs/dbraw/zinc/83/82/84/646838284.db2.gz VBAQGNXNMUXCBB-KOLCDFICSA-N 1 0 267.281 0.048 20 10 CCCDRO OC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1CO ZINC000877764550 646840085 /nfs/dbraw/zinc/84/00/85/646840085.db2.gz ICBQGHYDRHEZPP-PHIMTYICSA-N 1 0 281.308 0.154 20 10 CCCDRO C[C@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccccc1O ZINC000879650240 647089806 /nfs/dbraw/zinc/08/98/06/647089806.db2.gz RFCHJIANXHPMFV-JTQLQIEISA-N 1 0 277.324 0.937 20 10 CCCDRO Cc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000158802981 649310980 /nfs/dbraw/zinc/31/09/80/649310980.db2.gz VSWQQDOKMHSLEO-NSHDSACASA-N 1 0 262.309 0.938 20 10 CCCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(O)c1 ZINC001277454609 805599018 /nfs/dbraw/zinc/59/90/18/805599018.db2.gz WULODJVJDBQIIQ-QMTHXVAHSA-N 1 0 262.309 0.708 20 10 CCCDRO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC000705487385 790524974 /nfs/dbraw/zinc/52/49/74/790524974.db2.gz AMWHNRSKIIWIKC-UHFFFAOYSA-N 1 0 283.397 0.736 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232259894 805914975 /nfs/dbraw/zinc/91/49/75/805914975.db2.gz MUIOAOFJQWZSPC-UFBFGSQYSA-N 1 0 273.716 0.536 20 10 CCCDRO Oc1c(F)cccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234982806 806326105 /nfs/dbraw/zinc/32/61/05/806326105.db2.gz QOQWPWHUMUXOSP-CQSZACIVSA-N 1 0 265.332 0.669 20 10 CCCDRO CCOc1cccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235052903 806355399 /nfs/dbraw/zinc/35/53/99/806355399.db2.gz RFUUNWXYTYFLSA-MRXNPFEDSA-N 1 0 291.395 0.928 20 10 CCCDRO COc1cc(C)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235061693 806363812 /nfs/dbraw/zinc/36/38/12/806363812.db2.gz NBMQAQCCZFBBLJ-MRXNPFEDSA-N 1 0 291.395 0.847 20 10 CCCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1c(O)cc(O)cc1O)C2 ZINC001235990451 806523128 /nfs/dbraw/zinc/52/31/28/806523128.db2.gz NAAVSHRSPRFEBI-ISVAXAHUSA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC001236054438 806535456 /nfs/dbraw/zinc/53/54/56/806535456.db2.gz FSZOQDKYIQIZBQ-NSHDSACASA-N 1 0 268.288 0.478 20 10 CCCDRO CCOc1ccc(CN2C[C@H]([NH3+])C[C@H]2C(=O)OC)c(O)c1 ZINC001236201552 806554231 /nfs/dbraw/zinc/55/42/31/806554231.db2.gz MNVOFXDXRGZYDK-YPMHNXCESA-N 1 0 294.351 0.866 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1[NH3+] ZINC001236351469 806582369 /nfs/dbraw/zinc/58/23/69/806582369.db2.gz USFCNESUFPSJHG-ONGXEEELSA-N 1 0 284.743 0.978 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(C)cc(C)cc2O)C[C@@H]1[NH3+] ZINC001236356775 806585091 /nfs/dbraw/zinc/58/50/91/806585091.db2.gz RPLLGEJGKYDMKS-STQMWFEESA-N 1 0 278.352 0.941 20 10 CCCDRO CCc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001236783298 806608722 /nfs/dbraw/zinc/60/87/22/806608722.db2.gz JUSNSYDNNVXZCN-JSGCOSHPSA-N 1 0 251.326 0.740 20 10 CCCDRO COc1cc(O)c(C[NH+]2CC(C(N)=O)C2)cc1OC ZINC001236751872 806607936 /nfs/dbraw/zinc/60/79/36/806607936.db2.gz LLHQPYDFMZBINL-UHFFFAOYSA-N 1 0 266.297 0.327 20 10 CCCDRO Cc1cccc(O)c1C[NH+]1CC(N2CCN(C)C(=O)C2)C1 ZINC001237488478 806674423 /nfs/dbraw/zinc/67/44/23/806674423.db2.gz YRLZTXHUVPJPKU-UHFFFAOYSA-N 1 0 289.379 0.659 20 10 CCCDRO CC(=O)N1CCN(c2ccc(C[NH2+]C[C@H](C)O)cc2)CC1 ZINC001120511646 798841775 /nfs/dbraw/zinc/84/17/75/798841775.db2.gz RWJCDWIFUDZTRB-ZDUSSCGKSA-N 1 0 291.395 0.826 20 10 CCCDRO COCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001122331331 799201444 /nfs/dbraw/zinc/20/14/44/799201444.db2.gz VQDVPHDIWBSQRG-UHFFFAOYSA-N 1 0 266.341 0.856 20 10 CCCDRO Nc1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC001122445377 799235987 /nfs/dbraw/zinc/23/59/87/799235987.db2.gz QLBALFSFJCZWEM-CYBMUJFWSA-N 1 0 290.367 0.143 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156127 799984492 /nfs/dbraw/zinc/98/44/92/799984492.db2.gz FZRUFVSRKGLSHN-ZIAGYGMSSA-N 1 0 267.325 0.663 20 10 CCCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141158275 799985291 /nfs/dbraw/zinc/98/52/91/799985291.db2.gz WOJGBMRCKJUTBK-OCCSQVGLSA-N 1 0 264.325 0.613 20 10 CCCDRO CO[C@@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@@H]1OC ZINC001141156791 799985353 /nfs/dbraw/zinc/98/53/53/799985353.db2.gz VENAFNCLVVGEGN-BETUJISGSA-N 1 0 253.298 0.943 20 10 CCCDRO Nc1ccc(CC(=O)N2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001158077671 801564564 /nfs/dbraw/zinc/56/45/64/801564564.db2.gz VOVJAZRJKREXHL-UHFFFAOYSA-N 1 0 289.379 0.792 20 10 CCCDRO [NH3+][C@H]1CN[C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001160924149 802048546 /nfs/dbraw/zinc/04/85/46/802048546.db2.gz DXMAOADJLMRBAQ-NEPJUHHUSA-N 1 0 291.351 0.062 20 10 CCCDRO Nc1ccc(CC(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001161008387 802060311 /nfs/dbraw/zinc/06/03/11/802060311.db2.gz NVFXGSLJZNEWDL-AWEZNQCLSA-N 1 0 289.379 0.527 20 10 CCCDRO O=C(CCc1ccc(O)c(O)c1)N1CC[NH2+]C2(CC2)C1 ZINC001161546942 802175807 /nfs/dbraw/zinc/17/58/07/802175807.db2.gz FHSOSBXWSYZWIS-UHFFFAOYSA-N 1 0 276.336 0.995 20 10 CCCDRO COc1cc(N2CC[C@H]([NH3+])C2)c2c(c1OC)C(=O)NC2 ZINC001164288138 802707909 /nfs/dbraw/zinc/70/79/09/802707909.db2.gz MRGQYNBIDRNFHT-QMMMGPOBSA-N 1 0 277.324 0.485 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001203620779 803036799 /nfs/dbraw/zinc/03/67/99/803036799.db2.gz IBURDXNCZVVKQF-BXUZGUMPSA-N 1 0 267.325 0.576 20 10 CCCDRO C[C@@]1(CO)C[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875159 803050200 /nfs/dbraw/zinc/05/02/00/803050200.db2.gz JGBRXKBNKBNRHG-KGLIPLIRSA-N 1 0 267.325 0.663 20 10 CCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001205347058 803134979 /nfs/dbraw/zinc/13/49/79/803134979.db2.gz JOISFMONLJYRAZ-HUUCEWRRSA-N 1 0 261.369 0.791 20 10 CCCDRO COc1cc(C)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1 ZINC001206544559 803265831 /nfs/dbraw/zinc/26/58/31/803265831.db2.gz LULJOPZBRYDOGM-CYBMUJFWSA-N 1 0 292.379 0.960 20 10 CCCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(OC)ccc1O ZINC000088657960 803484928 /nfs/dbraw/zinc/48/49/28/803484928.db2.gz PRHZGDQWUYSCJA-ZDUSSCGKSA-N 1 0 294.351 0.738 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CC[C@@]1(O)CCOC1)OCO2 ZINC000404199369 803848962 /nfs/dbraw/zinc/84/89/62/803848962.db2.gz KPHXCWXJTKQEPA-CQSZACIVSA-N 1 0 281.308 0.752 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@H]2[NH2+]CC[C@@H]2O)c(O)c1 ZINC001220826115 804675956 /nfs/dbraw/zinc/67/59/56/804675956.db2.gz ZVBLDPRDLZXIRG-AAEUAGOBSA-N 1 0 264.325 0.348 20 10 CCCDRO CC[NH+](CC)C[C@H](O)CNC[C@H](O)c1ccc(O)c(O)c1 ZINC001253175514 808016933 /nfs/dbraw/zinc/01/69/33/808016933.db2.gz NUCFWRZTMCXPIG-DOMZBBRYSA-N 1 0 298.383 0.424 20 10 CCCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCCOC2)cc1O ZINC001254361208 808223119 /nfs/dbraw/zinc/22/31/19/808223119.db2.gz SLQAQRAQADGKTB-MFKMUULPSA-N 1 0 253.298 0.900 20 10 CCCDRO CN1CCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001255466260 808378801 /nfs/dbraw/zinc/37/88/01/808378801.db2.gz LZYJVQFBJZHIKY-FZMZJTMJSA-N 1 0 266.341 0.815 20 10 CCCDRO Nc1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC001262487979 809318130 /nfs/dbraw/zinc/31/81/30/809318130.db2.gz MGBZKTIQABILJT-CYBMUJFWSA-N 1 0 283.397 0.135 20 10 CCCDRO C[NH+]1CC2(CN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)C2)C1 ZINC001269476116 813385183 /nfs/dbraw/zinc/38/51/83/813385183.db2.gz DIMKZEAXXKMFQX-UHFFFAOYSA-N 1 0 287.319 0.967 20 10 CCCDRO C[NH+]1CC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001270069168 813612209 /nfs/dbraw/zinc/61/22/09/813612209.db2.gz XNSIBQSLRSDXHA-UHFFFAOYSA-N 1 0 264.281 0.191 20 10 CCCDRO COc1cc(O)c(CN2CC(C)([NH3+])C2)c(OC)c1 ZINC001204979892 814107291 /nfs/dbraw/zinc/10/72/91/814107291.db2.gz VHBJJMUDZDBYJT-UHFFFAOYSA-N 1 0 252.314 0.942 20 10 CCCDRO COc1cc(O)c(CN2CC[C@H]([NH3+])C2)c(OC)c1 ZINC001236169885 817128255 /nfs/dbraw/zinc/12/82/55/817128255.db2.gz GUERECDCKVYHPZ-VIFPVBQESA-N 1 0 252.314 0.942 20 10 CCCDRO CN1C[C@@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)OCC1=O ZINC001272989001 818261134 /nfs/dbraw/zinc/26/11/34/818261134.db2.gz YFDCQUHYJNQMPS-OAHLLOKOSA-N 1 0 292.335 0.531 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2COCCN2C)c1 ZINC000700218013 818745036 /nfs/dbraw/zinc/74/50/36/818745036.db2.gz PXITYLIUKUFZTH-GFCCVEGCSA-N 1 0 266.341 0.821 20 10 CCCDRO C[NH+](C)C[C@H]1CN(Cc2c(O)cc(O)cc2O)CCO1 ZINC001144503677 840068428 /nfs/dbraw/zinc/06/84/28/840068428.db2.gz AGMKEFLRKGRJMY-NSHDSACASA-N 1 0 282.340 0.566 20 10 CCCDRO Oc1cc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(O)c1 ZINC001144504611 840069044 /nfs/dbraw/zinc/06/90/44/840069044.db2.gz XBIHCBIDAAFKHZ-LLVKDONJSA-N 1 0 295.335 0.919 20 10 CCCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148590052 840856721 /nfs/dbraw/zinc/85/67/21/840856721.db2.gz AEVCKKKICYJKKU-QMMMGPOBSA-N 1 0 266.297 0.485 20 10 CCCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCO)cc1 ZINC001177238131 842531093 /nfs/dbraw/zinc/53/10/93/842531093.db2.gz SAQACPZPEVEYDT-UHFFFAOYSA-N 1 0 293.327 0.551 20 10 CCCDRO N=C(NC(=O)/C=C/c1ccc(O)c(O)c1)SCC[NH3+] ZINC001179689097 843033478 /nfs/dbraw/zinc/03/34/78/843033478.db2.gz DJIVZHRSPOKGOK-DUXPYHPUSA-N 1 0 281.337 0.854 20 10 CCCDRO N=c1ncc(C[NH3+])cn1C(=O)c1ccc(O)c(O)c1Cl ZINC001193246996 846033414 /nfs/dbraw/zinc/03/34/14/846033414.db2.gz GXRIJIFXWWMKFL-UHFFFAOYSA-N 1 0 294.698 0.574 20 10 CCCDRO Cn1nncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000395063845 854283506 /nfs/dbraw/zinc/28/35/06/854283506.db2.gz SNRQMIZSDMGZBI-UHFFFAOYSA-N 1 0 287.367 0.942 20 10 CCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001118554680 856339859 /nfs/dbraw/zinc/33/98/59/856339859.db2.gz YSUKPMPFPXMCFM-JTQLQIEISA-N 1 0 279.340 0.075 20 10 CCCDRO COC(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203557125 897749265 /nfs/dbraw/zinc/74/92/65/897749265.db2.gz ZRQDBPBDHMGICP-UHFFFAOYSA-N 1 0 264.325 0.683 20 10 CCCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(OC)c1 ZINC001236290269 903976440 /nfs/dbraw/zinc/97/64/40/903976440.db2.gz SDAGPALQPVAGPG-CABZTGNLSA-N 1 0 264.325 0.813 20 10 CCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001337497981 921261851 /nfs/dbraw/zinc/26/18/51/921261851.db2.gz DIBKNQYVPDDHQA-JOYOIKCWSA-N 1 0 289.335 0.101 20 10 CCCDRO C[NH+]1CCN(CC2CN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC001328721274 915379704 /nfs/dbraw/zinc/37/97/04/915379704.db2.gz HFDCHXLWHCBOHZ-UHFFFAOYSA-N 1 0 295.408 0.773 20 10 CCCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC001330591530 916726580 /nfs/dbraw/zinc/72/65/80/916726580.db2.gz JZWUYHQFRKBGAJ-SECBINFHSA-N 1 0 274.328 0.497 20 10 CCCDRO CCOc1ccc(N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC001332260985 917999514 /nfs/dbraw/zinc/99/95/14/917999514.db2.gz INZODEDAKWOESG-UHFFFAOYSA-N 1 0 277.368 0.953 20 10 CCCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)cc1 ZINC001332682727 918379773 /nfs/dbraw/zinc/37/97/73/918379773.db2.gz CGQVGKYDVJQWCN-XJKSGUPXSA-N 1 0 294.395 0.949 20 10 CCCDRO C[NH+]1CCN(C2CN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC001334936762 919850647 /nfs/dbraw/zinc/85/06/47/919850647.db2.gz VQOYGYHOIWWSRA-UHFFFAOYSA-N 1 0 291.351 0.170 20 10 CCCDRO CCO[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001336290798 920704604 /nfs/dbraw/zinc/70/46/04/920704604.db2.gz RXBONPYFZGSNMB-TZMCWYRMSA-N 1 0 292.383 0.774 20 10 CCCDRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1c(O)cccc1F ZINC001341769409 922665498 /nfs/dbraw/zinc/66/54/98/922665498.db2.gz XVZWZJIZEZBBCZ-JTQLQIEISA-N 1 0 282.315 0.916 20 10 CCCDRO O=C(NCc1cccc(O)c1O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001352670314 925616676 /nfs/dbraw/zinc/61/66/76/925616676.db2.gz NUTJOKRDFYLPDF-LBPRGKRZSA-N 1 0 292.335 0.435 20 10 CCCDRO C[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1O ZINC000111236223 349767998 /nfs/dbraw/zinc/76/79/98/349767998.db2.gz VTVBWCBEWODUKZ-UHFFFAOYSA-N 1 0 263.297 0.376 20 10 CCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000114485641 349833051 /nfs/dbraw/zinc/83/30/51/349833051.db2.gz PGVRJLSRFSIXHM-OAHLLOKOSA-N 1 0 291.395 0.778 20 10 CCCDRO Cc1cccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000271744211 353034088 /nfs/dbraw/zinc/03/40/88/353034088.db2.gz ANSCGPQECLVQAL-OAHLLOKOSA-N 1 0 294.395 0.826 20 10 CCCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CN1 ZINC000278611291 353302507 /nfs/dbraw/zinc/30/25/07/353302507.db2.gz DLAQGHWCIBOXDO-OAHLLOKOSA-N 1 0 290.319 0.833 20 10 CCCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000193673676 389077421 /nfs/dbraw/zinc/07/74/21/389077421.db2.gz UIXPMMNJZGAJAW-AMIZOPFISA-N 1 0 278.308 0.735 20 10 CCCDRO CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770321 389100250 /nfs/dbraw/zinc/10/02/50/389100250.db2.gz MAZGQIXLGGVDBT-UHFFFAOYSA-N 1 0 265.313 0.670 20 10 CCCDRO COc1cccc(C[NH2+]CCC(=O)N2CCOCC2)c1O ZINC000134492935 389246445 /nfs/dbraw/zinc/24/64/45/389246445.db2.gz GCPWEJISRYLPDI-UHFFFAOYSA-N 1 0 294.351 0.739 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000366764788 389310088 /nfs/dbraw/zinc/31/00/88/389310088.db2.gz HUPHYFOZRHSLEX-GJZGRUSLSA-N 1 0 289.379 0.842 20 10 CCCDRO CCC[N@H+](CC(=O)NCC(=O)OC)Cc1ccccc1O ZINC000174372530 389520159 /nfs/dbraw/zinc/52/01/59/389520159.db2.gz BTBYHAQZOSHHHR-UHFFFAOYSA-N 1 0 294.351 0.893 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000269256498 328190267 /nfs/dbraw/zinc/19/02/67/328190267.db2.gz KHRVXJIIZKTHRV-CQSZACIVSA-N 1 0 277.368 0.648 20 10 CCCDRO Nc1ccc(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000377563508 329018946 /nfs/dbraw/zinc/01/89/46/329018946.db2.gz NIYRBSYISKNPPP-HNNXBMFYSA-N 1 0 288.395 0.317 20 10 CCCDRO Cc1ccc(C(=O)NCCOCC[NH+](C)C)c(O)c1O ZINC000781018032 581256553 /nfs/dbraw/zinc/25/65/53/581256553.db2.gz OSWBMMWECNTOKW-UHFFFAOYSA-N 1 0 282.340 0.714 20 10 CCCDRO Cc1ccc(NNC=C2C(=O)N(C)C(=O)N(C)C2=O)[nH+]c1 ZINC000727490699 581321157 /nfs/dbraw/zinc/32/11/57/581321157.db2.gz VUAPGSIFGKULHK-UHFFFAOYSA-N 1 0 289.295 0.241 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000775135903 582012210 /nfs/dbraw/zinc/01/22/10/582012210.db2.gz JDETTXHAUUCZPA-SNVBAGLBSA-N 1 0 272.370 0.982 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@H](C)CC(N)=O)cc1OC ZINC000776251309 582065399 /nfs/dbraw/zinc/06/53/99/582065399.db2.gz WGVPXTRDEGHXFP-MRVPVSSYSA-N 1 0 268.313 0.763 20 10 CCCDRO COc1cc(C)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000895190039 617174959 /nfs/dbraw/zinc/17/49/59/617174959.db2.gz ZRNXVXKKQPPXPG-UONOGXRCSA-N 1 0 292.379 0.960 20 10 CCCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1O ZINC000894913779 617175473 /nfs/dbraw/zinc/17/54/73/617175473.db2.gz KDCVUNZHJUOSMW-DGCLKSJQSA-N 1 0 267.325 0.901 20 10 CCCDRO COc1cc(C)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000895405961 617175553 /nfs/dbraw/zinc/17/55/53/617175553.db2.gz QAZFDZHBMHHBJQ-CYBMUJFWSA-N 1 0 280.368 0.865 20 10 CCCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC000839166804 617196356 /nfs/dbraw/zinc/19/63/56/617196356.db2.gz UEOIUYUECDYQIJ-ONGXEEELSA-N 1 0 287.743 0.839 20 10 CCCDRO COc1ccc(C[NH2+][C@H](C)C(N)=O)cc1Cn1cccn1 ZINC000877481240 617260079 /nfs/dbraw/zinc/26/00/79/617260079.db2.gz ZUYDFGPLDQYCFR-LLVKDONJSA-N 1 0 288.351 0.903 20 10 CCCDRO COc1ccc(N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)cc1F ZINC000831146630 617267750 /nfs/dbraw/zinc/26/77/50/617267750.db2.gz HWQZRXMMAHAXDT-CYBMUJFWSA-N 1 0 293.342 0.845 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@@H](C)O)CC2)cc1 ZINC000929152800 617267893 /nfs/dbraw/zinc/26/78/93/617267893.db2.gz DXRMGLFFWUTPDF-DOMZBBRYSA-N 1 0 280.368 0.559 20 10 CCCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)cc1 ZINC000929152803 617267954 /nfs/dbraw/zinc/26/79/54/617267954.db2.gz DXRMGLFFWUTPDF-WFASDCNBSA-N 1 0 280.368 0.559 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)COCC[NH3+])C2)cc1 ZINC000852844407 617268170 /nfs/dbraw/zinc/26/81/70/617268170.db2.gz UVIIEKQCWZGHAQ-LBPRGKRZSA-N 1 0 293.367 0.365 20 10 CCCDRO COc1ccc(O)c([C@@H](C)Nc2nc(N)[nH+]c(N)n2)c1 ZINC000858391486 617273981 /nfs/dbraw/zinc/27/39/81/617273981.db2.gz JDCIUIWTCNTGJZ-ZCFIWIBFSA-N 1 0 276.300 0.923 20 10 CCCDRO COc1cccc([C@@H](C)[NH2+]CCc2nnnn2C)c1O ZINC000846146789 617307662 /nfs/dbraw/zinc/30/76/62/617307662.db2.gz LOOIJAFTWUFSIP-SECBINFHSA-N 1 0 277.328 0.818 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842228685 614585886 /nfs/dbraw/zinc/58/58/86/614585886.db2.gz CGLKWWLUTWVIKG-NSHDSACASA-N 1 0 293.367 0.594 20 10 CCCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839171599 614921055 /nfs/dbraw/zinc/92/10/55/614921055.db2.gz HWYQVHCMWRBTSR-ZFWWWQNUSA-N 1 0 264.369 0.928 20 10 CCCDRO CCOc1cccc(C[NH2+]CC(=O)NCC(=O)OC)c1O ZINC000877705953 615516781 /nfs/dbraw/zinc/51/67/81/615516781.db2.gz BOGIRBYSDWDXBP-UHFFFAOYSA-N 1 0 296.323 0.170 20 10 CCCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(O)cc1O ZINC000867416910 615886055 /nfs/dbraw/zinc/88/60/55/615886055.db2.gz JGUVUWDUCKDQFI-UHFFFAOYSA-N 1 0 288.369 0.469 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000824892938 616014373 /nfs/dbraw/zinc/01/43/73/616014373.db2.gz GNXAOVXOXMVKOF-PHIMTYICSA-N 1 0 291.326 0.596 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ncc[nH]2)cc1 ZINC000911667730 616019121 /nfs/dbraw/zinc/01/91/21/616019121.db2.gz RHFPLKYMWPWDBN-ZDUSSCGKSA-N 1 0 287.367 0.834 20 10 CCCDRO CN(C)c1ccc([C@@H](CNS(N)(=O)=O)[NH+](C)C)cc1 ZINC000903046081 616019166 /nfs/dbraw/zinc/01/91/66/616019166.db2.gz OAKGHJVXSKEAPK-GFCCVEGCSA-N 1 0 286.401 0.148 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC(=O)O2)cc1 ZINC000876505793 616019800 /nfs/dbraw/zinc/01/98/00/616019800.db2.gz BILZCTQHXHTUGZ-CHWSQXEVSA-N 1 0 291.351 0.574 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901054087 616170690 /nfs/dbraw/zinc/17/06/90/616170690.db2.gz AEFJMIVOSOJHIO-SWLSCSKDSA-N 1 0 278.352 0.806 20 10 CCCDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000861529771 616213870 /nfs/dbraw/zinc/21/38/70/616213870.db2.gz NQQCPKNFXACFID-LBPRGKRZSA-N 1 0 276.340 0.418 20 10 CCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccccc1O ZINC000858292443 616560320 /nfs/dbraw/zinc/56/03/20/616560320.db2.gz IKGMPMOELNWPOK-UHFFFAOYSA-N 1 0 280.324 0.551 20 10 CCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000895701693 616561081 /nfs/dbraw/zinc/56/10/81/616561081.db2.gz CCIUPEHHNCFMKP-CYBMUJFWSA-N 1 0 287.262 0.780 20 10 CCCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997084 616567608 /nfs/dbraw/zinc/56/76/08/616567608.db2.gz RFHJQDQODXXDQT-CQSZACIVSA-N 1 0 281.352 0.735 20 10 CCCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894247330 616627420 /nfs/dbraw/zinc/62/74/20/616627420.db2.gz FTAPWSNDOSMRPJ-NSHDSACASA-N 1 0 285.340 0.896 20 10 CCCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000895151873 616813661 /nfs/dbraw/zinc/81/36/61/616813661.db2.gz JAEVSLOTPYNYOG-VXGBXAGGSA-N 1 0 297.351 0.991 20 10 CCCDRO C[NH2+]CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842233152 616958263 /nfs/dbraw/zinc/95/82/63/616958263.db2.gz YXGXRZRYVLJBPL-UHFFFAOYSA-N 1 0 292.383 0.047 20 10 CCCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000851683083 616976770 /nfs/dbraw/zinc/97/67/70/616976770.db2.gz YTSHJESBZHKOTJ-SECBINFHSA-N 1 0 267.329 0.808 20 10 CCCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893355007 617019460 /nfs/dbraw/zinc/01/94/60/617019460.db2.gz BFQCAXSODKVUAO-CQSZACIVSA-N 1 0 285.340 0.896 20 10 CCCDRO COC[C@@]1(C(=O)NCc2ccc(OC)cc2O)CC[NH2+]C1 ZINC000818000396 617034047 /nfs/dbraw/zinc/03/40/47/617034047.db2.gz PWJNVMNOEGEOIB-OAHLLOKOSA-N 1 0 294.351 0.643 20 10 CCCDRO COc1c(O)c(CN[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841045439 617149196 /nfs/dbraw/zinc/14/91/96/617149196.db2.gz VPKJMCJWEZNAKF-SECBINFHSA-N 1 0 267.285 0.761 20 10 CCCDRO COc1ccc(O)c(CN2CCO[C@@H](C[NH3+])C2)c1 ZINC000164682840 636879577 /nfs/dbraw/zinc/87/95/77/636879577.db2.gz JWQQUOQTMYQTSF-LBPRGKRZSA-N 1 0 252.314 0.560 20 10 CCCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000229641199 637126167 /nfs/dbraw/zinc/12/61/67/637126167.db2.gz ZKZLPVVBWKECLC-INIZCTEOSA-N 1 0 292.379 0.764 20 10 CCCDRO Cc1cc(CN(CC[NH3+])C[C@H](O)CO)ccc1N(C)C ZINC000923386999 640115571 /nfs/dbraw/zinc/11/55/71/640115571.db2.gz IHMWZJSSSMMHDF-AWEZNQCLSA-N 1 0 281.400 0.175 20 10 CCCDRO Cc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)ccc1N(C)C ZINC000839171449 640303934 /nfs/dbraw/zinc/30/39/34/640303934.db2.gz FZDMAQBNEBEFAZ-ZFWWWQNUSA-N 1 0 264.369 0.846 20 10 CCCDRO [NH3+]CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711452 642832123 /nfs/dbraw/zinc/83/21/23/642832123.db2.gz CLVBYOOYEWJWPI-UHFFFAOYSA-N 1 0 296.346 0.420 20 10 CCCDRO [NH3+]CCNC(=O)NCCCSc1nccs1 ZINC000841856692 642847075 /nfs/dbraw/zinc/84/70/75/642847075.db2.gz KDJOBVJSFNAEIE-UHFFFAOYSA-N 1 0 260.388 0.883 20 10 CCCDRO C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842252953 642885111 /nfs/dbraw/zinc/88/51/11/642885111.db2.gz HIAFMSFQOMWZPU-LLVKDONJSA-N 1 0 292.383 0.174 20 10 CCCDRO Nc1ccc(NC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852825463 644012403 /nfs/dbraw/zinc/01/24/03/644012403.db2.gz KPIMHOIUBJSMIO-GFCCVEGCSA-N 1 0 261.325 0.976 20 10 CCCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000858238400 644602859 /nfs/dbraw/zinc/60/28/59/644602859.db2.gz YWPHFAALMMFLTK-UHFFFAOYSA-N 1 0 289.335 0.388 20 10 CCCDRO Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(O)c1O ZINC000863833145 645132228 /nfs/dbraw/zinc/13/22/28/645132228.db2.gz KQUBIMNUGWTKMT-JTQLQIEISA-N 1 0 280.324 0.203 20 10 CCCDRO Cc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c1 ZINC000876758736 646659344 /nfs/dbraw/zinc/65/93/44/646659344.db2.gz HHGSYIPKJULMDB-OAHLLOKOSA-N 1 0 294.395 0.826 20 10 CCCDRO O=S(=O)(NCc1c(O)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000923676518 646940052 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284.381 0.860 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2CO)cc1OC ZINC000902633148 617207603 /nfs/dbraw/zinc/20/76/03/617207603.db2.gz SAVQIZZGXDGJFI-JTQLQIEISA-N 1 0 253.298 0.976 20 10 CCCDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2CO)c(O)c1OC ZINC000895478959 617250360 /nfs/dbraw/zinc/25/03/60/617250360.db2.gz AFNOWMASVZWPSJ-GFCCVEGCSA-N 1 0 296.367 0.518 20 10 CCCDRO COc1ccc(CNC(=O)C2([NH3+])CCC2)c(O)c1 ZINC000832178596 617252830 /nfs/dbraw/zinc/25/28/30/617252830.db2.gz SZYUTELHZWSBOF-UHFFFAOYSA-N 1 0 250.298 0.898 20 10 CCCDRO COc1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)c(O)c1 ZINC000832178868 617253853 /nfs/dbraw/zinc/25/38/53/617253853.db2.gz YNHSCXDYTIDWQM-GFCCVEGCSA-N 1 0 280.324 0.396 20 10 CCCDRO COc1ccc(CNC(=O)NCC[C@H](C)[NH3+])c(O)c1 ZINC000857108025 617254563 /nfs/dbraw/zinc/25/45/63/617254563.db2.gz LUBFVHROKLQRDZ-VIFPVBQESA-N 1 0 267.329 0.937 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000876911206 617255179 /nfs/dbraw/zinc/25/51/79/617255179.db2.gz XOGQPQNJDGEAKU-MFKMUULPSA-N 1 0 282.315 0.965 20 10 CCCDRO COc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c(O)c1OC ZINC000895637620 617257758 /nfs/dbraw/zinc/25/77/58/617257758.db2.gz WQCGXWUVGQRUJS-GFCCVEGCSA-N 1 0 296.367 0.566 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1C ZINC000922827020 617257923 /nfs/dbraw/zinc/25/79/23/617257923.db2.gz MPKISPYELNDWCT-GFCCVEGCSA-N 1 0 287.381 0.499 20 10 CCCDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)c(O)c1OC ZINC000895699949 617259837 /nfs/dbraw/zinc/25/98/37/617259837.db2.gz NVGXFXLGYBFQMY-ZJUUUORDSA-N 1 0 269.297 0.259 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)[C@@H](C)O)cc1 ZINC000930847689 617267143 /nfs/dbraw/zinc/26/71/43/617267143.db2.gz BPLAZKOZJLURBI-IUODEOHRSA-N 1 0 282.384 0.805 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[NH3+])C2)cc1 ZINC000851661654 617268188 /nfs/dbraw/zinc/26/81/88/617268188.db2.gz MTUFBXOQUWLPCQ-LBPRGKRZSA-N 1 0 292.383 0.922 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000828667662 617273961 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ZINC000848895755 615683276 /nfs/dbraw/zinc/68/32/76/615683276.db2.gz WVQLNMFSBFJVCJ-UHFFFAOYSA-N 1 0 291.395 0.818 20 10 CCCDRO CCc1cccc(C[NH2+]C[C@H](O)Cn2ccnn2)c1O ZINC000848917209 615683473 /nfs/dbraw/zinc/68/34/73/615683473.db2.gz PTTYFDXAOYGICR-ZDUSSCGKSA-N 1 0 276.340 0.697 20 10 CCCDRO C[NH+](C)CC1(O)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000913678452 615872709 /nfs/dbraw/zinc/87/27/09/615872709.db2.gz IZIKUHGFWIFTGK-UHFFFAOYSA-N 1 0 294.351 0.627 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc1F ZINC000876741815 615942132 /nfs/dbraw/zinc/94/21/32/615942132.db2.gz SZJSFIIMSGHJOB-LBPRGKRZSA-N 1 0 282.363 0.397 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000844219184 616014903 /nfs/dbraw/zinc/01/49/03/616014903.db2.gz HCGIDNFQIHBQBB-CQSZACIVSA-N 1 0 290.411 0.649 20 10 CCCDRO CN(C)c1ccc(C[NH2+][C@H]2CCNC2=O)cc1F ZINC000850343349 616016018 /nfs/dbraw/zinc/01/60/18/616016018.db2.gz MVANCIXULZOSDB-NSHDSACASA-N 1 0 251.305 0.870 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2nc[nH]n2)cc1 ZINC000876507173 616019170 /nfs/dbraw/zinc/01/91/70/616019170.db2.gz XFKJDVTZKOLNBI-LBPRGKRZSA-N 1 0 288.355 0.229 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnnn2C)cc1 ZINC000832284792 616019435 /nfs/dbraw/zinc/01/94/35/616019435.db2.gz MDZIGKCQWWHKGC-LBPRGKRZSA-N 1 0 288.355 0.311 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccnn2)cc1 ZINC000876507219 616019651 /nfs/dbraw/zinc/01/96/51/616019651.db2.gz YEOYVDAXMSEXCH-CYBMUJFWSA-N 1 0 285.351 0.972 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000843299732 616019664 /nfs/dbraw/zinc/01/96/64/616019664.db2.gz WOIWJKWCNYBBPO-OLZOCXBDSA-N 1 0 290.367 0.147 20 10 CCCDRO CN(C)c1ccc(CNC(=O)CN(C)CCC[NH3+])cc1 ZINC000844220590 616074287 /nfs/dbraw/zinc/07/42/87/616074287.db2.gz YLIDSEKKDFTLRX-UHFFFAOYSA-N 1 0 278.400 0.649 20 10 CCCDRO C[NH+]1CCC(OCC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000934945241 616175431 /nfs/dbraw/zinc/17/54/31/616175431.db2.gz YHSAAXIWUMDLCM-UHFFFAOYSA-N 1 0 294.351 0.825 20 10 CCCDRO CN1CCCc2cc(CNS(=O)(=O)C3C[NH2+]C3)ccc21 ZINC000923602407 616219926 /nfs/dbraw/zinc/21/99/26/616219926.db2.gz OPZCKIVMMLSTJR-UHFFFAOYSA-N 1 0 295.408 0.460 20 10 CCCDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000040808808 616240848 /nfs/dbraw/zinc/24/08/48/616240848.db2.gz JLOGMECQHUSPIB-UHFFFAOYSA-N 1 0 290.411 0.565 20 10 CCCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000901123946 616498770 /nfs/dbraw/zinc/49/87/70/616498770.db2.gz UDPTXGQOTJIBPN-IAQYHMDHSA-N 1 0 294.351 0.212 20 10 CCCDRO COCCOCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000808237399 616540606 /nfs/dbraw/zinc/54/06/06/616540606.db2.gz OPHLDAUPMAOFCZ-CQSZACIVSA-N 1 0 297.351 0.913 20 10 CCCDRO CNC(=O)C1([NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000895884673 616550751 /nfs/dbraw/zinc/55/07/51/616550751.db2.gz MRQDTMVOHNBVHS-UHFFFAOYSA-N 1 0 282.315 0.916 20 10 CCCDRO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000808743451 616756649 /nfs/dbraw/zinc/75/66/49/616756649.db2.gz DDFUPVWMBHRCBM-LKFCYVNXSA-N 1 0 283.324 0.975 20 10 CCCDRO C[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851665086 616961476 /nfs/dbraw/zinc/96/14/76/616961476.db2.gz PXSLTSVZSAPWHS-GFCCVEGCSA-N 1 0 292.383 0.793 20 10 CCCDRO C[NH2+]CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759838 616961570 /nfs/dbraw/zinc/96/15/70/616961570.db2.gz IUBCAVBMBNUGQF-UHFFFAOYSA-N 1 0 268.336 0.910 20 10 CCCDRO CO[C@H](C[NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000832658910 617082606 /nfs/dbraw/zinc/08/26/06/617082606.db2.gz HHKRFTJUZSZKKQ-LBPRGKRZSA-N 1 0 251.330 0.291 20 10 CCCDRO COc1ccc(O)c(C[N@H+](C)CCNC(C)=O)c1 ZINC000308315618 624866252 /nfs/dbraw/zinc/86/62/52/624866252.db2.gz VFHVEWATJVRPTE-UHFFFAOYSA-N 1 0 252.314 0.969 20 10 CCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1ccc(N)cc1 ZINC000892038687 625042821 /nfs/dbraw/zinc/04/28/21/625042821.db2.gz HKUJDLMZWJPVLB-GXFFZTMASA-N 1 0 262.357 0.942 20 10 CCCDRO COc1ccc(O)c(CN2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000248946753 631537884 /nfs/dbraw/zinc/53/78/84/631537884.db2.gz DMAVJXKXBSLYFF-MFKMUULPSA-N 1 0 267.325 0.982 20 10 CCCDRO COc1ccc(C[NH+]2CC(C)(C(N)=O)C2)c(O)c1OC ZINC000895089008 631932800 /nfs/dbraw/zinc/93/28/00/631932800.db2.gz URKSELIJASHNQM-UHFFFAOYSA-N 1 0 280.324 0.717 20 10 CCCDRO Nc1ccc(CCNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000841945255 632764625 /nfs/dbraw/zinc/76/46/25/632764625.db2.gz CCRZFSWZWWPREE-ZDUSSCGKSA-N 1 0 262.357 0.848 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000182451122 638482503 /nfs/dbraw/zinc/48/25/03/638482503.db2.gz OSMQFSGKRCLBCI-KWQFWETISA-N 1 0 250.298 0.940 20 10 CCCDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922974812 639986716 /nfs/dbraw/zinc/98/67/16/639986716.db2.gz ZFKRCJBTXUMGDV-LBPRGKRZSA-N 1 0 291.307 0.678 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000839166920 640302899 /nfs/dbraw/zinc/30/28/99/640302899.db2.gz UQQDUWGZUGWIGU-JOYOIKCWSA-N 1 0 257.717 0.831 20 10 CCCDRO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839532194 640329516 /nfs/dbraw/zinc/32/95/16/640329516.db2.gz KDGXQQFXTZJITQ-DOMZBBRYSA-N 1 0 291.395 0.824 20 10 CCCDRO COc1cccc(O)c1C[NH2+]CCS(=O)(=O)N(C)C ZINC000810181438 640927532 /nfs/dbraw/zinc/92/75/32/640927532.db2.gz MAZJBGWVRKDCNC-UHFFFAOYSA-N 1 0 288.369 0.382 20 10 CCCDRO O=C(NCc1ccccc1O)c1[nH]nc2c1C[NH2+]CC2 ZINC000828015979 642058885 /nfs/dbraw/zinc/05/88/85/642058885.db2.gz PVWWKDVQOZZKDI-UHFFFAOYSA-N 1 0 272.308 0.691 20 10 CCCDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC(=O)N1 ZINC000835060407 642645719 /nfs/dbraw/zinc/64/57/19/642645719.db2.gz LKDQTGCCUVTYCN-CQSZACIVSA-N 1 0 278.308 0.879 20 10 CCCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000840917855 642797285 /nfs/dbraw/zinc/79/72/85/642797285.db2.gz OMFIXGSJNAQOGX-TXEJJXNPSA-N 1 0 257.717 0.891 20 10 CCCDRO C[N@@H+](Cc1cccc(Br)c1[O-])C[C@H](O)C[NH3+] ZINC000841094646 642803590 /nfs/dbraw/zinc/80/35/90/642803590.db2.gz ZWQPZYSUWMNOEJ-SECBINFHSA-N 1 0 289.173 0.906 20 10 CCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH3+] ZINC000842222921 642883575 /nfs/dbraw/zinc/88/35/75/642883575.db2.gz WYOREQYWGLPAOH-UHFFFAOYSA-N 1 0 293.367 0.596 20 10 CCCDRO Oc1cc2c(cc1CN1CCC[NH2+]CC1)OCO2 ZINC000843047260 642980440 /nfs/dbraw/zinc/98/04/40/642980440.db2.gz ISWVWICIZDLOPF-UHFFFAOYSA-N 1 0 250.298 0.916 20 10 CCCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1[NH3+] ZINC000843120478 643001761 /nfs/dbraw/zinc/00/17/61/643001761.db2.gz MUILZYYQCIETRX-PSASIEDQSA-N 1 0 250.298 0.900 20 10 CCCDRO O=C(NCc1ccccc1O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846678316 643441539 /nfs/dbraw/zinc/44/15/39/643441539.db2.gz YEZGRGYRAAWZII-FZMZJTMJSA-N 1 0 262.309 0.244 20 10 CCCDRO O=C1CN(CCC[NH2+]Cc2ccc3c(c2)CCO3)CCN1 ZINC000848557120 643651433 /nfs/dbraw/zinc/65/14/33/643651433.db2.gz HNCANBAGQXBPPS-UHFFFAOYSA-N 1 0 289.379 0.533 20 10 CCCDRO O=C(NCCCSc1nccs1)C1(O)C[NH2+]C1 ZINC000852840077 644017768 /nfs/dbraw/zinc/01/77/68/644017768.db2.gz JDJUGJJIGYNYQF-UHFFFAOYSA-N 1 0 273.383 0.076 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c1 ZINC000862535508 645004181 /nfs/dbraw/zinc/00/41/81/645004181.db2.gz PBKBQBNZPRXJMK-LBPRGKRZSA-N 1 0 264.325 0.777 20 10 CCCDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c(F)ccc(O)c1O ZINC000863944706 645146219 /nfs/dbraw/zinc/14/62/19/645146219.db2.gz QONINZWUNFVQLD-QMMMGPOBSA-N 1 0 284.287 0.033 20 10 CCCDRO C[C@H]1C[C@H]([NH3+])CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000866682007 645569907 /nfs/dbraw/zinc/56/99/07/645569907.db2.gz DZSOAGKCYWPJNO-JSGCOSHPSA-N 1 0 290.411 0.790 20 10 CCCDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1O ZINC000870988197 646074386 /nfs/dbraw/zinc/07/43/86/646074386.db2.gz IJTUXOYSNUUSTB-PGUXBMHVSA-N 1 0 276.336 0.805 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876527877 646619669 /nfs/dbraw/zinc/61/96/69/646619669.db2.gz MMGHOPUYOXEWCR-WCQYABFASA-N 1 0 265.332 0.875 20 10 CCCDRO Cc1ccc(C[NH2+]CCN2CCCS2(=O)=O)c(O)c1 ZINC000877021586 646717622 /nfs/dbraw/zinc/71/76/22/646717622.db2.gz GQEFPMHYMPTQMD-UHFFFAOYSA-N 1 0 284.381 0.826 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000877592032 646826635 /nfs/dbraw/zinc/82/66/35/646826635.db2.gz KJXKWECVNYAXDA-WCQYABFASA-N 1 0 251.326 0.876 20 10 CCCDRO C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1O ZINC000923668182 646876147 /nfs/dbraw/zinc/87/61/47/646876147.db2.gz DIKIIYZMPWPJGP-SNVBAGLBSA-N 1 0 285.369 0.193 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001232836293 805985652 /nfs/dbraw/zinc/98/56/52/805985652.db2.gz MWNUXAYBBWPQAY-SWLSCSKDSA-N 1 0 280.368 0.633 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001232836239 805985958 /nfs/dbraw/zinc/98/59/58/805985958.db2.gz MELKKYYHXBQQOM-SMDDNHRTSA-N 1 0 266.341 0.243 20 10 CCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233013158 806006464 /nfs/dbraw/zinc/00/64/64/806006464.db2.gz NCNBNLXPHXDMHG-MRVPVSSYSA-N 1 0 252.270 0.111 20 10 CCCDRO O=C1NCC[C@]12CC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233482732 806059174 /nfs/dbraw/zinc/05/91/74/806059174.db2.gz AEGHWUBDLOPFOA-CQSZACIVSA-N 1 0 278.308 0.515 20 10 CCCDRO Cc1cc(F)cc(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234995599 806340693 /nfs/dbraw/zinc/34/06/93/806340693.db2.gz XQHGGLVYYKWLOC-OAHLLOKOSA-N 1 0 279.359 0.977 20 10 CCCDRO Oc1ccc(O)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060694 806360936 /nfs/dbraw/zinc/36/09/36/806360936.db2.gz IMILCPBOPWSCRJ-CQSZACIVSA-N 1 0 263.341 0.235 20 10 CCCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001235169578 806380309 /nfs/dbraw/zinc/38/03/09/806380309.db2.gz JQPPRFUDMIGLFL-TVQRCGJNSA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2c(C)cc(OC)cc2O)C[C@@H]1[NH3+] ZINC001236352149 806582861 /nfs/dbraw/zinc/58/28/61/806582861.db2.gz MLABIQDWPNLMSX-STQMWFEESA-N 1 0 294.351 0.641 20 10 CCCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001236808090 806612741 /nfs/dbraw/zinc/61/27/41/806612741.db2.gz MEMWSMGLDLIXMP-FZMZJTMJSA-N 1 0 281.352 0.884 20 10 CCCDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001121991175 799115002 /nfs/dbraw/zinc/11/50/02/799115002.db2.gz MLADQJYGRRPTGW-ZFWWWQNUSA-N 1 0 289.379 0.734 20 10 CCCDRO CC1(C)C[N@H+](Cc2cccc(F)c2[O-])CCN1CC(N)=O ZINC001138128759 799702769 /nfs/dbraw/zinc/70/27/69/799702769.db2.gz XVSNWTWKMGVGCP-UHFFFAOYSA-N 1 0 295.358 0.913 20 10 CCCDRO Nc1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001238368636 806778751 /nfs/dbraw/zinc/77/87/51/806778751.db2.gz XFTBKPKPVYLWJY-UHFFFAOYSA-N 1 0 283.397 0.688 20 10 CCCDRO C[NH+]1CCN(c2ccc(CN3CC(O)C3)cc2)CC1 ZINC001139404661 799808974 /nfs/dbraw/zinc/80/89/74/799808974.db2.gz UKUAUVOSBQZJBX-UHFFFAOYSA-N 1 0 261.369 0.615 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156569 799984527 /nfs/dbraw/zinc/98/45/27/799984527.db2.gz NNFQKGSOOFFWJX-GXFFZTMASA-N 1 0 253.298 0.273 20 10 CCCDRO OCCC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141156483 799985438 /nfs/dbraw/zinc/98/54/38/799985438.db2.gz MEYJYRVFRXHGPC-UHFFFAOYSA-N 1 0 266.341 0.598 20 10 CCCDRO COC(=O)C1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC001203561295 803034331 /nfs/dbraw/zinc/03/43/31/803034331.db2.gz PTSJMVZYTJVSIZ-UHFFFAOYSA-N 1 0 265.309 0.892 20 10 CCCDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCN1C ZINC001203558645 803034758 /nfs/dbraw/zinc/03/47/58/803034758.db2.gz SEEUYKTXIWNBNR-GFCCVEGCSA-N 1 0 264.325 0.681 20 10 CCCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001203594190 803035928 /nfs/dbraw/zinc/03/59/28/803035928.db2.gz ULFKQQJUHKUKMX-NEPJUHHUSA-N 1 0 276.336 0.921 20 10 CCCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CO ZINC001203640108 803039939 /nfs/dbraw/zinc/03/99/39/803039939.db2.gz RWABLLWHJJPPMA-SNVBAGLBSA-N 1 0 290.157 0.940 20 10 CCCDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(O)cc2O)CCO1 ZINC001204276536 803076504 /nfs/dbraw/zinc/07/65/04/803076504.db2.gz MFIUFDWSKZYFTL-CYBMUJFWSA-N 1 0 266.341 0.860 20 10 CCCDRO COc1cc(CN2CCO[C@H](C[NH+](C)C)C2)cc(O)c1O ZINC001204342756 803079492 /nfs/dbraw/zinc/07/94/92/803079492.db2.gz MPTNOKOJAAYRKT-GFCCVEGCSA-N 1 0 296.367 0.869 20 10 CCCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC001205831423 803176088 /nfs/dbraw/zinc/17/60/88/803176088.db2.gz IPJVCYNJYDVUQE-LBPRGKRZSA-N 1 0 289.328 0.171 20 10 CCCDRO CCc1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206102084 803207945 /nfs/dbraw/zinc/20/79/45/803207945.db2.gz MOHVCKQHKWGVCL-CHWSQXEVSA-N 1 0 250.342 0.849 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1O ZINC001206468473 803248009 /nfs/dbraw/zinc/24/80/09/803248009.db2.gz ISQXOHLVKNGVFC-QPUJVOFHSA-N 1 0 256.733 0.797 20 10 CCCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1O ZINC001206525160 803259893 /nfs/dbraw/zinc/25/98/93/803259893.db2.gz ISQXOHLVKNGVFC-UFBFGSQYSA-N 1 0 256.733 0.797 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CNC(N)=O)c1 ZINC001207730209 803443235 /nfs/dbraw/zinc/44/32/35/803443235.db2.gz UVHZVXXQTKLEOB-UHFFFAOYSA-N 1 0 267.329 0.937 20 10 CCCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001207825159 803453652 /nfs/dbraw/zinc/45/36/52/803453652.db2.gz UZXDAEIABISWDB-ZYHUDNBSSA-N 1 0 269.316 0.954 20 10 CCCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001219656923 804395841 /nfs/dbraw/zinc/39/58/41/804395841.db2.gz FHGOFYNZTHGZMB-IUCAKERBSA-N 1 0 280.324 0.779 20 10 CCCDRO NC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277193108 805334374 /nfs/dbraw/zinc/33/43/74/805334374.db2.gz YEXOWATXARTXQG-GFCCVEGCSA-N 1 0 292.335 0.422 20 10 CCCDRO C[C@@H]1CC[C@@H](NC[C@H](O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246071646 807140840 /nfs/dbraw/zinc/14/08/40/807140840.db2.gz BFWZRGXVYOUIQF-UDZFHETQSA-N 1 0 266.341 0.861 20 10 CCCDRO COC(=O)Cc1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001249171617 807546364 /nfs/dbraw/zinc/54/63/64/807546364.db2.gz DMZYCKMTBAUQTN-UHFFFAOYSA-N 1 0 277.320 0.940 20 10 CCCDRO CCCCOC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252498849 807896628 /nfs/dbraw/zinc/89/66/28/807896628.db2.gz NMHJCUTUNPBBON-IUODEOHRSA-N 1 0 299.367 0.898 20 10 CCCDRO [NH3+][C@@H](CNC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001262069182 809180108 /nfs/dbraw/zinc/18/01/08/809180108.db2.gz WDPWRUJAJMWKRF-LBPRGKRZSA-N 1 0 289.335 0.088 20 10 CCCDRO Nc1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001262603793 809372572 /nfs/dbraw/zinc/37/25/72/809372572.db2.gz VIHXHAQQNZJUGQ-BETUJISGSA-N 1 0 260.341 0.915 20 10 CCCDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000693864862 811167562 /nfs/dbraw/zinc/16/75/62/811167562.db2.gz WYZBUNFPRPUYEU-AWEZNQCLSA-N 1 0 275.352 0.501 20 10 CCCDRO COc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c1 ZINC000711655282 813460989 /nfs/dbraw/zinc/46/09/89/813460989.db2.gz OOLKYPBWKMNBCD-SKDRFNHKSA-N 1 0 285.365 0.924 20 10 CCCDRO COc1cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc(O)c1O ZINC001204818991 814733315 /nfs/dbraw/zinc/73/33/15/814733315.db2.gz AWJKFMJBHMVBHM-BDAKNGLRSA-N 1 0 256.277 0.587 20 10 CCCDRO COc1cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001236032032 817029322 /nfs/dbraw/zinc/02/93/22/817029322.db2.gz YPQOWKAHZDHORB-QMTHXVAHSA-N 1 0 264.325 0.942 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2ccc(C)cc2O)C[C@@H]1[NH3+] ZINC001236352170 817282573 /nfs/dbraw/zinc/28/25/73/817282573.db2.gz VCJIYHVIWXFWMB-RYUDHWBXSA-N 1 0 264.325 0.633 20 10 CCCDRO O=C(C1CC1)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509155 840072758 /nfs/dbraw/zinc/07/27/58/840072758.db2.gz MZBDWIWZPUDOGV-UHFFFAOYSA-N 1 0 292.335 0.858 20 10 CCCDRO O=C(CCc1ccc(O)c(O)c1)N[C@H]1CC[NH2+]C1 ZINC001182155884 843738365 /nfs/dbraw/zinc/73/83/65/843738365.db2.gz UTZALPWUKVYURB-JTQLQIEISA-N 1 0 250.298 0.509 20 10 CCCDRO CCOC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252045579 847704034 /nfs/dbraw/zinc/70/40/34/847704034.db2.gz PEHNTSWZRKHQEF-NSHDSACASA-N 1 0 255.314 0.627 20 10 CCCDRO COC[C@]1(C(=O)NCc2ccccc2O)CC[NH2+]C1 ZINC000388667453 853979097 /nfs/dbraw/zinc/97/90/97/853979097.db2.gz BIPSYSSCZLQVEJ-AWEZNQCLSA-N 1 0 264.325 0.635 20 10 CCCDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001334774024 906363838 /nfs/dbraw/zinc/36/38/38/906363838.db2.gz CIVKSCAXVSDIMJ-CYBMUJFWSA-N 1 0 283.397 0.782 20 10 CCCDRO C[C@@H]([NH2+]Cc1cn(CC(N)=O)nn1)c1ccccc1O ZINC001308505594 908418499 /nfs/dbraw/zinc/41/84/99/908418499.db2.gz FHUVIBYNWPDXEI-SECBINFHSA-N 1 0 275.312 0.320 20 10 CCCDRO COCC[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC001330865989 916934422 /nfs/dbraw/zinc/93/44/22/916934422.db2.gz FSZGTVIQVCDNTP-GFCCVEGCSA-N 1 0 251.330 0.291 20 10 CCCDRO CC(C)([NH3+])CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001333422821 918891054 /nfs/dbraw/zinc/89/10/54/918891054.db2.gz NHKZTYFLJITLBK-UHFFFAOYSA-N 1 0 277.324 0.088 20 10 CCCDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCNC2=O)cc1OC ZINC001333825841 919192309 /nfs/dbraw/zinc/19/23/09/919192309.db2.gz IVXWMXGTHPLQAI-AWEZNQCLSA-N 1 0 280.324 0.778 20 10 CCCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001335457063 920208035 /nfs/dbraw/zinc/20/80/35/920208035.db2.gz IXMJCMGSTUGCAZ-UHFFFAOYSA-N 1 0 280.372 0.646 20 10 CCCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC001336894530 921089424 /nfs/dbraw/zinc/08/94/24/921089424.db2.gz TYGZJFITBNDTKN-ZWNOBZJWSA-N 1 0 262.357 0.718 20 10 CCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001341613537 922581522 /nfs/dbraw/zinc/58/15/22/922581522.db2.gz IBNCUVKNJBDQDT-GOEBONIOSA-N 1 0 291.395 0.790 20 10 CCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[NH2+]CCN2C)c1 ZINC001341827226 922691235 /nfs/dbraw/zinc/69/12/35/922691235.db2.gz VVFFIDXVBURRAP-GWCFXTLKSA-N 1 0 293.367 0.482 20 10 CCCDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1c(O)cccc1F ZINC001342535291 922992485 /nfs/dbraw/zinc/99/24/85/922992485.db2.gz GRZCZXXJJRSZJN-JTQLQIEISA-N 1 0 282.315 0.916 20 10 CCCDRO COc1ccc(N2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)cc1 ZINC001343354299 923283743 /nfs/dbraw/zinc/28/37/43/923283743.db2.gz OZFPVTIFRCXGCN-CYBMUJFWSA-N 1 0 293.367 0.054 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@H](O)C[NH3+])cc1F ZINC001343407595 923302731 /nfs/dbraw/zinc/30/27/31/923302731.db2.gz GTOZSWHVGHBFGV-JTQLQIEISA-N 1 0 269.320 0.218 20 10 CCCDRO [NH3+]CCCn1ccc(C(=O)NCc2ccccc2O)n1 ZINC001357497519 926550241 /nfs/dbraw/zinc/55/02/41/926550241.db2.gz DZADDQDPBCGODX-UHFFFAOYSA-N 1 0 274.324 0.868 20 10 CCCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879806 348300223 /nfs/dbraw/zinc/30/02/23/348300223.db2.gz CNXHSHSYOITKQT-MRVPVSSYSA-N 1 0 266.297 0.735 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)CNC(=O)C[NH3+] ZINC000124738438 350106056 /nfs/dbraw/zinc/10/60/56/350106056.db2.gz SSNDJYJKIMXSST-UHFFFAOYSA-N 1 0 279.340 0.206 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000282832338 353455242 /nfs/dbraw/zinc/45/52/42/353455242.db2.gz BUCIRQLVXQNFNM-SNVBAGLBSA-N 1 0 271.313 0.506 20 10 CCCDRO Nc1ccc(CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000372571994 389453091 /nfs/dbraw/zinc/45/30/91/389453091.db2.gz NSCCQBGRBJWABD-UHFFFAOYSA-N 1 0 285.351 0.610 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000174705971 389528702 /nfs/dbraw/zinc/52/87/02/389528702.db2.gz XRVLRLICJCZTKV-CQSZACIVSA-N 1 0 291.395 0.683 20 10 CCCDRO COCC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000281393480 389615187 /nfs/dbraw/zinc/61/51/87/389615187.db2.gz XARLNPJTIGFREO-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179577644 389660358 /nfs/dbraw/zinc/66/03/58/389660358.db2.gz UIGFVGNELOJENW-LLVKDONJSA-N 1 0 270.354 0.516 20 10 CCCDRO COc1cccc(C[NH2+]C[C@@H]2COCCO2)c1O ZINC000038060386 174070907 /nfs/dbraw/zinc/07/09/07/174070907.db2.gz RZDBOSRKUKYMKK-LLVKDONJSA-N 1 0 253.298 0.906 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1C ZINC000276475836 328218548 /nfs/dbraw/zinc/21/85/48/328218548.db2.gz RFWUCCQGXMHCEH-NSHDSACASA-N 1 0 277.324 0.723 20 10 CCCDRO CCOc1cccc(C[NH2+]C[C@H](O)COC)c1O ZINC000071269758 521365637 /nfs/dbraw/zinc/36/56/37/521365637.db2.gz GWULCHRPJYQPFH-NSHDSACASA-N 1 0 255.314 0.888 20 10 CCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000279433782 523866181 /nfs/dbraw/zinc/86/61/81/523866181.db2.gz ZKSINZHXLDMNPI-SNVBAGLBSA-N 1 0 280.324 0.548 20 10 CCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000068799932 523887226 /nfs/dbraw/zinc/88/72/26/523887226.db2.gz GLBMGZHURGIGPX-CQSZACIVSA-N 1 0 276.384 0.173 20 10 CCCDRO COc1cccc(C[NH2+][C@H]2COC[C@@H]2OC)c1O ZINC000289801901 526038833 /nfs/dbraw/zinc/03/88/33/526038833.db2.gz MHUBQXYRCPBHJP-JQWIXIFHSA-N 1 0 253.298 0.904 20 10 CCCDRO COc1cc(O)c(CNCC2([NH3+])CC2)cc1OC ZINC000904448602 617207681 /nfs/dbraw/zinc/20/76/81/617207681.db2.gz CGRQIMSFURFJFW-UHFFFAOYSA-N 1 0 252.314 0.990 20 10 CCCDRO COc1ccc(CNC(=O)NC[C@H](C)C[NH3+])c(O)c1 ZINC000841962855 617254583 /nfs/dbraw/zinc/25/45/83/617254583.db2.gz MHHPKGIPMCNKLC-SECBINFHSA-N 1 0 267.329 0.795 20 10 CCCDRO COc1ccc(C[NH2+]C[C@](C)(CO)OC)c(O)c1OC ZINC000895200856 617258734 /nfs/dbraw/zinc/25/87/34/617258734.db2.gz VCSPPWJLRCYYSN-CQSZACIVSA-N 1 0 285.340 0.896 20 10 CCCDRO COc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c(O)c1 ZINC000852889050 617255642 /nfs/dbraw/zinc/25/56/42/617255642.db2.gz ATDTVZTWWNNRCE-DGCLKSJQSA-N 1 0 280.324 0.381 20 10 CCCDRO COc1ccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)c(O)c1 ZINC000876910967 617256192 /nfs/dbraw/zinc/25/61/92/617256192.db2.gz QZRYRNCZXBTXMI-OAHLLOKOSA-N 1 0 294.351 0.773 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000877764685 617272899 /nfs/dbraw/zinc/27/28/99/617272899.db2.gz IKIMTIFHDBSUAA-TXEJJXNPSA-N 1 0 267.325 0.433 20 10 CCCDRO COc1cccc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000827147434 617297389 /nfs/dbraw/zinc/29/73/89/617297389.db2.gz RMRCXWDGPNUCKZ-UHFFFAOYSA-N 1 0 267.325 0.720 20 10 CCCDRO COc1cccc(CNC(=O)NC[C@@H](C)C[NH3+])c1O ZINC000841963458 617298638 /nfs/dbraw/zinc/29/86/38/617298638.db2.gz RTTKNLKFGLEMDQ-VIFPVBQESA-N 1 0 267.329 0.795 20 10 CCCDRO COc1cccc(CNC(=O)N[C@H](C[NH3+])C2CC2)c1O ZINC000841945205 617298817 /nfs/dbraw/zinc/29/88/17/617298817.db2.gz AEHFYTCUMFEFAM-LLVKDONJSA-N 1 0 279.340 0.937 20 10 CCCDRO CC(C)(C[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841955544 614088156 /nfs/dbraw/zinc/08/81/56/614088156.db2.gz GIFXQIPTRVSYTB-UHFFFAOYSA-N 1 0 250.346 0.848 20 10 CCCDRO CCN(C)c1ccc(CN(C)CCS(N)(=O)=O)cc1 ZINC000880083634 614921045 /nfs/dbraw/zinc/92/10/45/614921045.db2.gz DNPZBEUSSPRTLO-UHFFFAOYSA-N 1 0 285.413 0.863 20 10 CCCDRO CCNC(=O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893320543 615050442 /nfs/dbraw/zinc/05/04/42/615050442.db2.gz OJSPVLPCSZRVGS-UHFFFAOYSA-N 1 0 268.313 0.635 20 10 CCCDRO CCOc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)c(O)c1 ZINC000877644770 615510641 /nfs/dbraw/zinc/51/06/41/615510641.db2.gz SYFOUHKWNBBEOJ-ZDUSSCGKSA-N 1 0 280.368 0.899 20 10 CCCDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cccc(F)c1O ZINC000827158686 615894404 /nfs/dbraw/zinc/89/44/04/615894404.db2.gz SZTKUXXKDSCZEZ-UHFFFAOYSA-N 1 0 297.374 0.983 20 10 CCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)C[NH+](C)C ZINC000876779219 615940317 /nfs/dbraw/zinc/94/03/17/615940317.db2.gz XTSMTEXNHATRAN-LBPRGKRZSA-N 1 0 292.383 0.367 20 10 CCCDRO CN(C)c1ccc(CNC(=O)NCC2C[NH2+]C2)cc1F ZINC000841758467 616014727 /nfs/dbraw/zinc/01/47/27/616014727.db2.gz BMJUBYYPUYMJIA-UHFFFAOYSA-N 1 0 280.347 0.910 20 10 CCCDRO CN(C)c1ccc([C@H](CNC(=O)CC(N)=O)[NH+](C)C)cc1 ZINC000891252699 616019398 /nfs/dbraw/zinc/01/93/98/616019398.db2.gz MRCIRWORMPTDFG-ZDUSSCGKSA-N 1 0 292.383 0.347 20 10 CCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncc[nH]2)cc1 ZINC000911668545 616019411 /nfs/dbraw/zinc/01/94/11/616019411.db2.gz ZLNXVSXCCHYRRN-LBPRGKRZSA-N 1 0 273.340 0.906 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N(C)CC[NH3+])cc1F ZINC000841758398 616084605 /nfs/dbraw/zinc/08/46/05/616084605.db2.gz ARUXCHYJBJJRJK-UHFFFAOYSA-N 1 0 268.336 0.992 20 10 CCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C1C[NH2+]C1 ZINC000843124894 616167023 /nfs/dbraw/zinc/16/70/23/616167023.db2.gz OPYLOLAROWFWRN-UHFFFAOYSA-N 1 0 261.369 0.927 20 10 CCCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1COC[C@H]1O ZINC000931745289 616167251 /nfs/dbraw/zinc/16/72/51/616167251.db2.gz KJMCHKOZKNZLIW-HZPDHXFCSA-N 1 0 292.379 0.715 20 10 CCCDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2O)C1 ZINC000907056533 616234224 /nfs/dbraw/zinc/23/42/24/616234224.db2.gz NBXCEJFFXVKBLD-UHFFFAOYSA-N 1 0 277.368 0.502 20 10 CCCDRO C[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000108245353 616247138 /nfs/dbraw/zinc/24/71/38/616247138.db2.gz HOAQALDQYRASHS-UHFFFAOYSA-N 1 0 277.368 0.955 20 10 CCCDRO COCC[NH2+]CCNCc1cc2c(cc1O)OCO2 ZINC000841047511 616510523 /nfs/dbraw/zinc/51/05/23/616510523.db2.gz DJDFHTRYVCPMRM-UHFFFAOYSA-N 1 0 268.313 0.447 20 10 CCCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[NH3+] ZINC000843489270 616590921 /nfs/dbraw/zinc/59/09/21/616590921.db2.gz LKZYANOTSQMVCX-UHFFFAOYSA-N 1 0 286.715 0.506 20 10 CCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000841892118 616603831 /nfs/dbraw/zinc/60/38/31/616603831.db2.gz FDUJBVQGMHNCER-LBPRGKRZSA-N 1 0 292.335 0.646 20 10 CCCDRO COC[C@H](O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893256098 616733016 /nfs/dbraw/zinc/73/30/16/616733016.db2.gz DNBHSNNNEYPPTN-LLVKDONJSA-N 1 0 285.340 0.896 20 10 CCCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000865707016 617012027 /nfs/dbraw/zinc/01/20/27/617012027.db2.gz MHGSTHORPTUJFM-UHFFFAOYSA-N 1 0 285.413 0.782 20 10 CCCDRO COc1c([O-])c(C[NH2+]C[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000841049656 617149302 /nfs/dbraw/zinc/14/93/02/617149302.db2.gz UYFPCHWKRNSVJP-MRVPVSSYSA-N 1 0 269.301 0.993 20 10 CCCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000179582190 623334064 /nfs/dbraw/zinc/33/40/64/623334064.db2.gz WYJSWFAQRVZRPS-SNVBAGLBSA-N 1 0 250.298 0.851 20 10 CCCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000234335791 624875670 /nfs/dbraw/zinc/87/56/70/624875670.db2.gz UFCBZNIAAYBUHL-SNVBAGLBSA-N 1 0 266.272 0.768 20 10 CCCDRO CO[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000227362822 637021227 /nfs/dbraw/zinc/02/12/27/637021227.db2.gz DLQGNJGXBLUESD-ZDUSSCGKSA-N 1 0 265.357 0.685 20 10 CCCDRO C[C@@H](NC(=O)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237590032 638227574 /nfs/dbraw/zinc/22/75/74/638227574.db2.gz OLRKBXJTVVBAAQ-LLVKDONJSA-N 1 0 263.341 0.659 20 10 CCCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]1O ZINC000922341795 639661524 /nfs/dbraw/zinc/66/15/24/639661524.db2.gz WABCRQPOWJEBBA-BTTYYORXSA-N 1 0 263.337 0.985 20 10 CCCDRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000922820862 639801085 /nfs/dbraw/zinc/80/10/85/639801085.db2.gz GSWKRJIRYVMMKT-MRVPVSSYSA-N 1 0 293.772 0.541 20 10 CCCDRO Oc1cc2c(cc1CNC[C@H]1C[NH2+]CCCO1)OCO2 ZINC000841087662 642803047 /nfs/dbraw/zinc/80/30/47/642803047.db2.gz UZIOJVGCOYSNLY-LLVKDONJSA-N 1 0 280.324 0.589 20 10 CCCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841730774 642834721 /nfs/dbraw/zinc/83/47/21/642834721.db2.gz VWYXIFOZKMXIIE-GFCCVEGCSA-N 1 0 292.383 0.670 20 10 CCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037067 642871945 /nfs/dbraw/zinc/87/19/45/642871945.db2.gz UWGKPWSUHNGNMB-NSHDSACASA-N 1 0 292.383 0.080 20 10 CCCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000846046318 643375252 /nfs/dbraw/zinc/37/52/52/643375252.db2.gz FKDRGTOAUOKJFH-DTORHVGOSA-N 1 0 250.298 0.754 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852797280 644002415 /nfs/dbraw/zinc/00/24/15/644002415.db2.gz NNLXLMOQBIGPQX-OLZOCXBDSA-N 1 0 263.341 0.291 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852824832 644011847 /nfs/dbraw/zinc/01/18/47/644011847.db2.gz GCBOHSQTIWSJSL-AWEZNQCLSA-N 1 0 289.379 0.696 20 10 CCCDRO COc1cccc(O)c1CNCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000863648777 645114382 /nfs/dbraw/zinc/11/43/82/645114382.db2.gz HYGHKDVJIJTNIC-UHFFFAOYSA-N 1 0 290.323 0.645 20 10 CCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865739889 645410642 /nfs/dbraw/zinc/41/06/42/645410642.db2.gz XIDWNSYGTYCBNC-IAQYHMDHSA-N 1 0 298.358 0.494 20 10 CCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000877466109 646818600 /nfs/dbraw/zinc/81/86/00/646818600.db2.gz XSRTUMBATBHGES-SNVBAGLBSA-N 1 0 270.354 0.563 20 10 CCCDRO Cc1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC000877610928 646828260 /nfs/dbraw/zinc/82/82/60/646828260.db2.gz MDZJHDZDCMWEIC-UHFFFAOYSA-N 1 0 291.395 0.906 20 10 CCCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000877625447 646829187 /nfs/dbraw/zinc/82/91/87/646829187.db2.gz YSWDFGGHYQMSLX-HNNXBMFYSA-N 1 0 281.352 0.958 20 10 CCCDRO Cc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000877658926 646832701 /nfs/dbraw/zinc/83/27/01/646832701.db2.gz FPMJQXNELKNNSE-UHFFFAOYSA-N 1 0 299.396 0.281 20 10 CCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000930699849 648891795 /nfs/dbraw/zinc/89/17/95/648891795.db2.gz LNWBKIYOOJSYOD-GOEBONIOSA-N 1 0 292.379 0.308 20 10 CCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC000089755953 649663201 /nfs/dbraw/zinc/66/32/01/649663201.db2.gz WWYFRDWDGPJELN-GZMMTYOYSA-N 1 0 278.308 0.857 20 10 CCCDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000090024667 649666633 /nfs/dbraw/zinc/66/66/33/649666633.db2.gz KYZKPJGKALLIDQ-LBPRGKRZSA-N 1 0 274.320 0.859 20 10 CCCDRO NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2O1 ZINC001277441786 805578232 /nfs/dbraw/zinc/57/82/32/805578232.db2.gz OYSZCSYKNHIYTC-DYEKYZERSA-N 1 0 276.336 0.857 20 10 CCCDRO OC[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706829836 791135885 /nfs/dbraw/zinc/13/58/85/791135885.db2.gz AVUYFBZXABCFDE-ZETCQYMHSA-N 1 0 276.130 0.598 20 10 CCCDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)cc1O ZINC001231634316 805823467 /nfs/dbraw/zinc/82/34/67/805823467.db2.gz LEOBKWXHOPKGEH-RNCFNFMXSA-N 1 0 283.324 0.282 20 10 CCCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001231849722 805863010 /nfs/dbraw/zinc/86/30/10/805863010.db2.gz XJDOGONFORBAID-OCCSQVGLSA-N 1 0 280.368 0.546 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1Cl ZINC001232267149 805916837 /nfs/dbraw/zinc/91/68/37/805916837.db2.gz XVVYGHJWZWFMPQ-CABZTGNLSA-N 1 0 287.743 0.839 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001232834103 805986311 /nfs/dbraw/zinc/98/63/11/805986311.db2.gz GNFNOAUOJAZFSC-UHFFFAOYSA-N 1 0 263.341 0.780 20 10 CCCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001233332795 806043399 /nfs/dbraw/zinc/04/33/99/806043399.db2.gz XVTYJEGEELROLP-CPCISQLKSA-N 1 0 259.252 0.455 20 10 CCCDRO Oc1cc(O)c(CN2CCO[C@@]3(CCOC3)C2)cc1O ZINC001233483451 806059934 /nfs/dbraw/zinc/05/99/34/806059934.db2.gz ZNSTYCNTIHJXCT-AWEZNQCLSA-N 1 0 281.308 0.795 20 10 CCCDRO COc1cc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)cc1O ZINC001234986116 806329775 /nfs/dbraw/zinc/32/97/75/806329775.db2.gz AKWREIADSHCTQC-HNNXBMFYSA-N 1 0 293.367 0.244 20 10 CCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccccc1O ZINC001236052774 806536436 /nfs/dbraw/zinc/53/64/36/806536436.db2.gz HFKXENBOWPRMQX-NSHDSACASA-N 1 0 250.298 0.339 20 10 CCCDRO COC(=O)[C@H]1CN(Cc2cc(O)c(O)c(OC)c2)C[C@@H]1[NH3+] ZINC001236338758 806570270 /nfs/dbraw/zinc/57/02/70/806570270.db2.gz CEGYPDURENACCE-UWVGGRQHSA-N 1 0 296.323 0.039 20 10 CCCDRO Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001140947793 799963938 /nfs/dbraw/zinc/96/39/38/799963938.db2.gz FUXVVRKRVRQKPU-TZMCWYRMSA-N 1 0 251.326 0.876 20 10 CCCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)ccc21 ZINC001141139820 799982828 /nfs/dbraw/zinc/98/28/28/799982828.db2.gz CPHBFCWZWXKQPR-GXTWGEPZSA-N 1 0 278.352 0.300 20 10 CCCDRO C[C@@]1(CO)C[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141155893 799985473 /nfs/dbraw/zinc/98/54/73/799985473.db2.gz AFOIXXRTTRKKDF-KGLIPLIRSA-N 1 0 267.325 0.663 20 10 CCCDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160872673 802036683 /nfs/dbraw/zinc/03/66/83/802036683.db2.gz OVBQWHHTVAKHFM-FKIZINRSSA-N 1 0 296.392 0.373 20 10 CCCDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160873189 802037377 /nfs/dbraw/zinc/03/73/77/802037377.db2.gz UJPGURMERRTFSF-GFCCVEGCSA-N 1 0 276.336 0.655 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161134699 802098039 /nfs/dbraw/zinc/09/80/39/802098039.db2.gz IZXKSEIWSCKXQN-INIZCTEOSA-N 1 0 290.411 0.792 20 10 CCCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001203589049 803036238 /nfs/dbraw/zinc/03/62/38/803036238.db2.gz BXJMKOBQSVIALC-ZFWWWQNUSA-N 1 0 281.352 0.966 20 10 CCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1 ZINC001203670215 803041173 /nfs/dbraw/zinc/04/11/73/803041173.db2.gz LGQDUHIWKVPQPC-LSDHHAIUSA-N 1 0 281.352 0.966 20 10 CCCDRO [NH3+][C@H]1CN(Cc2c(O)cc(O)cc2O)CC(F)(F)C1 ZINC001206131587 803210708 /nfs/dbraw/zinc/21/07/08/803210708.db2.gz FTEZHQHYFLBGQK-SSDOTTSWSA-N 1 0 274.267 0.972 20 10 CCCDRO COc1cc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206536033 803262284 /nfs/dbraw/zinc/26/22/84/803262284.db2.gz WIYAUCCCVBWNFF-JQWIXIFHSA-N 1 0 282.340 0.161 20 10 CCCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2cc(O)c(O)cc2O)C1 ZINC001220115449 804503331 /nfs/dbraw/zinc/50/33/31/804503331.db2.gz NPUHRLQGEIYIAB-MWLCHTKSSA-N 1 0 294.351 0.850 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CN1 ZINC001246237728 807195316 /nfs/dbraw/zinc/19/53/16/807195316.db2.gz BWUIHTNNEFYKAX-NHCYSSNCSA-N 1 0 264.325 0.946 20 10 CCCDRO C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1O ZINC001251036292 807650586 /nfs/dbraw/zinc/65/05/86/807650586.db2.gz FGXSCYCHPGGTHY-OLZOCXBDSA-N 1 0 280.368 0.736 20 10 CCCDRO COc1ccc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc1C ZINC001251046246 807656699 /nfs/dbraw/zinc/65/66/99/807656699.db2.gz POEBIJODOMAMHO-OAHLLOKOSA-N 1 0 294.395 0.786 20 10 CCCDRO Nc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC001262487771 809318719 /nfs/dbraw/zinc/31/87/19/809318719.db2.gz DZOPAELBISWVGM-AWEZNQCLSA-N 1 0 274.324 0.443 20 10 CCCDRO COc1cccc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC001262590417 809362396 /nfs/dbraw/zinc/36/23/96/809362396.db2.gz LFOXJNRJTPHAKF-MWLCHTKSSA-N 1 0 279.340 0.808 20 10 CCCDRO [NH3+][C@H](CO)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001263111253 809450865 /nfs/dbraw/zinc/45/08/65/809450865.db2.gz XPLTZDBZRAGTRZ-QWHCGFSZSA-N 1 0 294.351 0.219 20 10 CCCDRO C[NH+](C)CC[C@H](N)C(=O)NCc1c(O)cccc1F ZINC001263200042 809479099 /nfs/dbraw/zinc/47/90/99/809479099.db2.gz YPOPLMRWQRKSLW-NSHDSACASA-N 1 0 269.320 0.427 20 10 CCCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001268910366 813141075 /nfs/dbraw/zinc/14/10/75/813141075.db2.gz YKDPCQYWEGTKCL-IUCAKERBSA-N 1 0 299.421 0.152 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(O)c(O)c1 ZINC001236193294 817155188 /nfs/dbraw/zinc/15/51/88/817155188.db2.gz BFCWVZDJGHJFNE-UWVGGRQHSA-N 1 0 266.297 0.172 20 10 CCCDRO COc1ccc(C[NH2+]CCNC(=O)CC(N)=O)cc1C ZINC001125084775 817701524 /nfs/dbraw/zinc/70/15/24/817701524.db2.gz IBKFNYGLHPVEFI-UHFFFAOYSA-N 1 0 279.340 0.085 20 10 CCCDRO CN(c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(C)(C)C[NH3+] ZINC001170059717 836820049 /nfs/dbraw/zinc/82/00/49/836820049.db2.gz SZKRDWRICJHVOK-OAHLLOKOSA-N 1 0 290.367 0.915 20 10 CCCDRO COc1cc(O)c(C[NH2+]CC(=O)N2CCCO2)cc1OC ZINC001184279126 844205318 /nfs/dbraw/zinc/20/53/18/844205318.db2.gz XJUNCWLCJDZSNG-UHFFFAOYSA-N 1 0 296.323 0.663 20 10 CCCDRO COC(C[N@H+](C)Cc1c(O)cc(O)cc1O)OC ZINC001144514410 840072004 /nfs/dbraw/zinc/07/20/04/840072004.db2.gz CAKUAAJTZKVNPR-UHFFFAOYSA-N 1 0 257.286 0.854 20 10 CCCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516120 840075297 /nfs/dbraw/zinc/07/52/97/840075297.db2.gz QCADLGJJYVVCOI-NSHDSACASA-N 1 0 280.324 0.904 20 10 CCCDRO N=C(NC(=O)c1cccc(O)c1O)SCC[NH3+] ZINC001148220026 840766191 /nfs/dbraw/zinc/76/61/91/840766191.db2.gz LONNTZUNBBHYDN-UHFFFAOYSA-N 1 0 255.299 0.454 20 10 CCCDRO C[NH+](C)C1(C)CN(C(=O)c2cccc(O)c2O)C1 ZINC001148218835 840766600 /nfs/dbraw/zinc/76/66/00/840766600.db2.gz MZMYZZMHYUIBPD-UHFFFAOYSA-N 1 0 250.298 0.874 20 10 CCCDRO COC[C@](C)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000716884712 841691422 /nfs/dbraw/zinc/69/14/22/841691422.db2.gz JGXWIWZKCOOJDV-ZDUSSCGKSA-N 1 0 255.314 0.888 20 10 CCCDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001176467272 842371594 /nfs/dbraw/zinc/37/15/94/842371594.db2.gz OMPOEOJXNWORED-GFCCVEGCSA-N 1 0 276.336 0.851 20 10 CCCDRO COc1cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)cc1O ZINC001206433544 843302759 /nfs/dbraw/zinc/30/27/59/843302759.db2.gz FWWPKZXFOZEFDI-VHSXEESVSA-N 1 0 270.304 0.978 20 10 CCCDRO COc1cc(C(=O)N2CC(C)([NH+](C)C)C2)cc(O)c1O ZINC001193096575 845993276 /nfs/dbraw/zinc/99/32/76/845993276.db2.gz ZKUNFROJUNXMLV-UHFFFAOYSA-N 1 0 280.324 0.883 20 10 CCCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203875113 846896296 /nfs/dbraw/zinc/89/62/96/846896296.db2.gz HMVKITCYAVOAOT-ZIAGYGMSSA-N 1 0 267.325 0.663 20 10 CCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000697277633 855616978 /nfs/dbraw/zinc/61/69/78/855616978.db2.gz KJEHPXNTAPIIGE-PWSUYJOCSA-N 1 0 289.328 0.433 20 10 CCCDRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(N)cc3)C[C@H]21 ZINC001120269148 857025828 /nfs/dbraw/zinc/02/58/28/857025828.db2.gz NMRHIXHWBQYAOT-MJBXVCDLSA-N 1 0 296.392 0.513 20 10 CCCDRO CN(C)c1ccc(C[N@H+](C)CCNS(C)(=O)=O)cc1 ZINC001319814657 910304549 /nfs/dbraw/zinc/30/45/49/910304549.db2.gz GUGJNFWDVBZNDF-UHFFFAOYSA-N 1 0 285.413 0.734 20 10 CCCDRO Nc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC001334753919 919743791 /nfs/dbraw/zinc/74/37/91/919743791.db2.gz IMXVUGMDTGADFV-STQMWFEESA-N 1 0 261.325 0.358 20 10 CCCDRO Cn1cc([C@@H]2CN(Cc3ccc(N)cc3)C[C@H]2[NH3+])cn1 ZINC001336116221 920615951 /nfs/dbraw/zinc/61/59/51/920615951.db2.gz DBVUGMMZVSFZGG-LSDHHAIUSA-N 1 0 271.368 0.929 20 10 CCCDRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001336290206 920701430 /nfs/dbraw/zinc/70/14/30/920701430.db2.gz JQRTYZMHOFFZLO-UHFFFAOYSA-N 1 0 294.399 0.988 20 10 CCCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]([NH3+])CO)cc1 ZINC001340025844 921920884 /nfs/dbraw/zinc/92/08/84/921920884.db2.gz CDIUTLAKCVABGU-CQSZACIVSA-N 1 0 279.384 0.811 20 10 CCCDRO CN(C)c1ccc(CNC(=O)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC001340793418 922223066 /nfs/dbraw/zinc/22/30/66/922223066.db2.gz SPMJFIKBSDZWOM-MRXNPFEDSA-N 1 0 291.395 0.873 20 10 CCCDRO Nc1ccc(CNC(=O)C[NH+]2CCC(CO)CC2)cc1 ZINC001342021737 922767802 /nfs/dbraw/zinc/76/78/02/922767802.db2.gz NPCFVGGIBWYVEF-UHFFFAOYSA-N 1 0 277.368 0.589 20 10 CCCDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001342614204 923027731 /nfs/dbraw/zinc/02/77/31/923027731.db2.gz SRSCHZQGDSPFTL-QPUJVOFHSA-N 1 0 268.288 0.511 20 10 CCCDRO COC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC001343055968 923185350 /nfs/dbraw/zinc/18/53/50/923185350.db2.gz QWQQAPUNEBPMLP-CYBMUJFWSA-N 1 0 263.341 0.258 20 10 CCCDRO O=C(C[C@]1(O)CCC[NH2+]C1)NCc1c(O)cccc1F ZINC001344821068 923697692 /nfs/dbraw/zinc/69/76/92/923697692.db2.gz DTVQJOMMOWGQRK-CQSZACIVSA-N 1 0 282.315 0.652 20 10 CCCDRO O=C(NCc1c(O)cccc1F)[C@H]1C[NH2+]CCO1 ZINC001344822477 923699341 /nfs/dbraw/zinc/69/93/41/923699341.db2.gz QUUKFZCIPRPURJ-LLVKDONJSA-N 1 0 254.261 0.136 20 10 CCCDRO C[NH2+]CCOCCNC(=O)NCc1ccc(N)cc1 ZINC001353441969 925835117 /nfs/dbraw/zinc/83/51/17/925835117.db2.gz KTLAOUBWSZFHBJ-UHFFFAOYSA-N 1 0 266.345 0.304 20 10 CCCDRO Cc1cc(C[NH+]2CCC(O)(C(N)=O)CC2)ccc1N(C)C ZINC000295128763 199360666 /nfs/dbraw/zinc/36/06/66/199360666.db2.gz CABFFJZHNYHNBU-UHFFFAOYSA-N 1 0 291.395 0.873 20 10 CCCDRO COc1cccc(C[NH2+][C@@]2(CO)CCOC2)c1O ZINC000184197453 351405177 /nfs/dbraw/zinc/40/51/77/351405177.db2.gz WHSMIFVEEODFAO-CYBMUJFWSA-N 1 0 253.298 0.642 20 10 CCCDRO C[NH+](C)C/C=C/C(=O)NCc1ccc(O)c(O)c1 ZINC000272294887 353049852 /nfs/dbraw/zinc/04/98/52/353049852.db2.gz HQFGNTGEHKBXLL-ONEGZZNKSA-N 1 0 250.298 0.832 20 10 CCCDRO CN(C)S(=O)(=O)CC[N@H+](C)Cc1ccccc1O ZINC000285622010 353560911 /nfs/dbraw/zinc/56/09/11/353560911.db2.gz MWLORYVOHMDCPX-UHFFFAOYSA-N 1 0 272.370 0.715 20 10 CCCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000285830106 353561502 /nfs/dbraw/zinc/56/15/02/353561502.db2.gz VBMOBOPDCKHHHW-UHFFFAOYSA-N 1 0 277.368 0.749 20 10 CCCDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297453180 200196170 /nfs/dbraw/zinc/19/61/70/200196170.db2.gz XDAHOTQYZNQKSK-NSHDSACASA-N 1 0 284.381 0.861 20 10 CCCDRO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000360342783 389196603 /nfs/dbraw/zinc/19/66/03/389196603.db2.gz KIWLRCIODYVEAT-NSHDSACASA-N 1 0 270.354 0.645 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372359473 389449548 /nfs/dbraw/zinc/44/95/48/389449548.db2.gz LEBNNJRDRPVTKE-AWEZNQCLSA-N 1 0 289.379 0.741 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1COCCN1)OCO2 ZINC000530180541 390876016 /nfs/dbraw/zinc/87/60/16/390876016.db2.gz CFSVUEAUGOJGBF-SNVBAGLBSA-N 1 0 266.297 0.199 20 10 CCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165185439 261366671 /nfs/dbraw/zinc/36/66/71/261366671.db2.gz SYOIZMHYFKDNAI-NSHDSACASA-N 1 0 263.341 0.487 20 10 CCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1F ZINC000166461829 261389503 /nfs/dbraw/zinc/38/95/03/261389503.db2.gz IFRJRJWBCKBSBX-ZDUSSCGKSA-N 1 0 281.331 0.496 20 10 CCCDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1O ZINC000179902774 329213444 /nfs/dbraw/zinc/21/34/44/329213444.db2.gz FZINUOIDIWRMKB-JTQLQIEISA-N 1 0 272.370 0.982 20 10 CCCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000424196206 330325197 /nfs/dbraw/zinc/32/51/97/330325197.db2.gz ZOTVEHLQFUKTCB-SNVBAGLBSA-N 1 0 288.355 0.887 20 10 CCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1([NH3+])CC1 ZINC000088130904 523265720 /nfs/dbraw/zinc/26/57/20/523265720.db2.gz BBIJOOOVPXYHGG-UHFFFAOYSA-N 1 0 289.379 0.973 20 10 CCCDRO COc1cccc(C[NH2+]CC(=O)NC2CC2)c1O ZINC000036782410 526010497 /nfs/dbraw/zinc/01/04/97/526010497.db2.gz NQRTVKOGSZBIJF-UHFFFAOYSA-N 1 0 250.298 0.769 20 10 CCCDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000276512569 526853891 /nfs/dbraw/zinc/85/38/91/526853891.db2.gz UARXKFBYHILERP-NSHDSACASA-N 1 0 275.308 0.341 20 10 CCCDRO C[C@](O)(CO)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000794749108 581387089 /nfs/dbraw/zinc/38/70/89/581387089.db2.gz YLBQMUWJLIUETI-OAHLLOKOSA-N 1 0 298.358 0.495 20 10 CCCDRO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1F ZINC000769565412 581696466 /nfs/dbraw/zinc/69/64/66/581696466.db2.gz VVXHGOKTRREGAC-TXEJJXNPSA-N 1 0 268.332 0.819 20 10 CCCDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775369132 582021360 /nfs/dbraw/zinc/02/13/60/582021360.db2.gz KNQUGLQLNDBOLS-IUCAKERBSA-N 1 0 295.339 0.896 20 10 CCCDRO COc1cc(O)c(C[NH2+]CC(=O)N(C)OC)cc1OC ZINC000895041166 617207691 /nfs/dbraw/zinc/20/76/91/617207691.db2.gz URLJQYBXIDUBGY-UHFFFAOYSA-N 1 0 284.312 0.519 20 10 CCCDRO COc1cc(O)c(C[NH2+]C[C@H]2COCCN2C)cc1OC ZINC000862507575 617207833 /nfs/dbraw/zinc/20/78/33/617207833.db2.gz ICCKXYQGEZABTK-LBPRGKRZSA-N 1 0 296.367 0.830 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(O)c1OC ZINC000892244132 617250842 /nfs/dbraw/zinc/25/08/42/617250842.db2.gz GCEJYWDVXWULCN-SNVBAGLBSA-N 1 0 295.339 0.652 20 10 CCCDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000861702064 617254985 /nfs/dbraw/zinc/25/49/85/617254985.db2.gz HLSUWSDWIBSWFA-JOYOIKCWSA-N 1 0 279.340 0.950 20 10 CCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1C ZINC000886255939 617259822 /nfs/dbraw/zinc/25/98/22/617259822.db2.gz QHVORTHSEQAXNJ-CLLJXQQHSA-N 1 0 251.326 0.977 20 10 CCCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000844400050 617267235 /nfs/dbraw/zinc/26/72/35/617267235.db2.gz UDRJEUSLASLDEA-NSHDSACASA-N 1 0 265.357 0.937 20 10 CCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)cc1 ZINC000851639075 617268183 /nfs/dbraw/zinc/26/81/83/617268183.db2.gz AMIRRUADLBDJNJ-GDLCADMTSA-N 1 0 275.352 0.737 20 10 CCCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccnn2C)c1 ZINC000897302529 617273159 /nfs/dbraw/zinc/27/31/59/617273159.db2.gz POQSCUWDPFCECX-AWEZNQCLSA-N 1 0 277.324 0.958 20 10 CCCDRO COc1ccc(O)c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000841086414 617273242 /nfs/dbraw/zinc/27/32/42/617273242.db2.gz NLUGJMUEWKCNMI-CYBMUJFWSA-N 1 0 266.341 0.869 20 10 CCCDRO COc1cccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000132639613 617297510 /nfs/dbraw/zinc/29/75/10/617297510.db2.gz LJLLYRWCMNFGQQ-GWCFXTLKSA-N 1 0 266.341 0.949 20 10 CCCDRO COc1cccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000132640065 617297533 /nfs/dbraw/zinc/29/75/33/617297533.db2.gz LJLLYRWCMNFGQQ-GXFFZTMASA-N 1 0 266.341 0.949 20 10 CCCDRO COc1cccc(CNC(=O)N[C@H](C)CC[NH3+])c1O ZINC000841968429 617298999 /nfs/dbraw/zinc/29/89/99/617298999.db2.gz XMLCZJROOITKPV-SECBINFHSA-N 1 0 267.329 0.937 20 10 CCCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000852799197 614034748 /nfs/dbraw/zinc/03/47/48/614034748.db2.gz SFQLURGERQEPQR-NSHDSACASA-N 1 0 252.314 0.761 20 10 CCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH2+]C ZINC000842232608 614586352 /nfs/dbraw/zinc/58/63/52/614586352.db2.gz SZPMGFQNSULPFI-UHFFFAOYSA-N 1 0 293.367 0.466 20 10 CCCDRO CC[N@H+](CC(=O)NC)Cc1ccc(OC)c(OC)c1O ZINC000891612217 614936105 /nfs/dbraw/zinc/93/61/05/614936105.db2.gz QLVIEOZTUVSBHX-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c(O)c1 ZINC000825017135 615510756 /nfs/dbraw/zinc/51/07/56/615510756.db2.gz MMTADJGZEIODBU-ZIAGYGMSSA-N 1 0 267.325 0.982 20 10 CCCDRO CCc1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000848904962 615683053 /nfs/dbraw/zinc/68/30/53/615683053.db2.gz FGFFLQSEIGECDG-GFCCVEGCSA-N 1 0 284.381 0.817 20 10 CCCDRO CCc1cccc(C[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000896456380 615683537 /nfs/dbraw/zinc/68/35/37/615683537.db2.gz CRBASVSHAKMPHR-MRXNPFEDSA-N 1 0 294.395 0.737 20 10 CCCDRO CC[C@H]([NH3+])CNC(=O)NCCc1ccc(N)cc1 ZINC000841955771 615791708 /nfs/dbraw/zinc/79/17/08/615791708.db2.gz MRWDIXKMCISNPK-NSHDSACASA-N 1 0 250.346 0.848 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000808751104 616014346 /nfs/dbraw/zinc/01/43/46/616014346.db2.gz RERWXMMXUDJYRH-DZGCQCFKSA-N 1 0 264.369 0.928 20 10 CCCDRO CN(C)c1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000841654610 616014848 /nfs/dbraw/zinc/01/48/48/616014848.db2.gz OCSCOPGPDHXUJC-CQSZACIVSA-N 1 0 292.383 0.622 20 10 CCCDRO CN(C)c1ccc([C@@H](CNC(=O)CC(N)=O)[NH+](C)C)cc1 ZINC000891252698 616018975 /nfs/dbraw/zinc/01/89/75/616018975.db2.gz MRCIRWORMPTDFG-CYBMUJFWSA-N 1 0 292.383 0.347 20 10 CCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(N)=O)CC2)cc1 ZINC000832272476 616019359 /nfs/dbraw/zinc/01/93/59/616019359.db2.gz GAYPBFFXUFCGMP-GFCCVEGCSA-N 1 0 290.367 0.134 20 10 CCCDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)CCOCCO ZINC000883352182 616097200 /nfs/dbraw/zinc/09/72/00/616097200.db2.gz VZCKECOOUDEFKQ-CQSZACIVSA-N 1 0 294.395 0.910 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852816754 616170998 /nfs/dbraw/zinc/17/09/98/616170998.db2.gz FIJJSMAEXVNQRH-WCQYABFASA-N 1 0 264.325 0.714 20 10 CCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000865686684 616582695 /nfs/dbraw/zinc/58/26/95/616582695.db2.gz RDTDITKKXIFJCO-QWRGUYRKSA-N 1 0 294.351 0.856 20 10 CCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000801732691 616743615 /nfs/dbraw/zinc/74/36/15/616743615.db2.gz UAENOOCJPSWAHM-MRXNPFEDSA-N 1 0 293.411 0.535 20 10 CCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000858551817 616918045 /nfs/dbraw/zinc/91/80/45/616918045.db2.gz ABKYSWHUHOJVIB-MRCXROJRSA-N 1 0 295.335 0.979 20 10 CCCDRO C[NH2+]CCCNC(=O)NCc1ccc(OC)cc1O ZINC000841916467 616946226 /nfs/dbraw/zinc/94/62/26/616946226.db2.gz BVXBHUXTMKWCEB-UHFFFAOYSA-N 1 0 267.329 0.810 20 10 CCCDRO CO[C@]1(C[NH2+]Cc2ccc(C)cc2O)CCS(=O)(=O)C1 ZINC000896684662 617137598 /nfs/dbraw/zinc/13/75/98/617137598.db2.gz XIADWSOHPYNJQJ-AWEZNQCLSA-N 1 0 299.392 0.994 20 10 CCCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000903960695 634697326 /nfs/dbraw/zinc/69/73/26/634697326.db2.gz VFVOCEQIYRRESQ-PSASIEDQSA-N 1 0 250.298 0.818 20 10 CCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccccc1O ZINC000903967206 634701632 /nfs/dbraw/zinc/70/16/32/634701632.db2.gz ANMAHHZMGROYIM-LBPRGKRZSA-N 1 0 284.381 0.259 20 10 CCCDRO Cc1cccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1O ZINC000903969084 634702367 /nfs/dbraw/zinc/70/23/67/634702367.db2.gz UOXFXGLNBYCQMB-ZDUSSCGKSA-N 1 0 298.408 0.567 20 10 CCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000237244855 631994409 /nfs/dbraw/zinc/99/44/09/631994409.db2.gz IYFNGWIMIHUHLG-UHFFFAOYSA-N 1 0 291.395 0.731 20 10 CCCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818967756 641369784 /nfs/dbraw/zinc/36/97/84/641369784.db2.gz ATDKYJZIBGLXEM-OCCSQVGLSA-N 1 0 291.395 0.859 20 10 CCCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004416 641972528 /nfs/dbraw/zinc/97/25/28/641972528.db2.gz HMOLNUCDXFEZJO-UHFFFAOYSA-N 1 0 277.368 0.878 20 10 CCCDRO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1O ZINC000827941173 642052598 /nfs/dbraw/zinc/05/25/98/642052598.db2.gz OOOAFFXWEGVMLF-TZMCWYRMSA-N 1 0 289.379 0.959 20 10 CCCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000828833666 642122959 /nfs/dbraw/zinc/12/29/59/642122959.db2.gz JBXMKWPUIHVPFM-CHWSQXEVSA-N 1 0 293.411 0.975 20 10 CCCDRO [O-]c1c(F)cccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841085515 642801795 /nfs/dbraw/zinc/80/17/95/642801795.db2.gz FTGNUAZGVRIGNT-LLVKDONJSA-N 1 0 254.305 0.999 20 10 CCCDRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203160 642882113 /nfs/dbraw/zinc/88/21/13/642882113.db2.gz PXRKJGMTEBQUSM-MNOVXSKESA-N 1 0 292.383 0.393 20 10 CCCDRO Nc1ccc(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852795737 644000733 /nfs/dbraw/zinc/00/07/33/644000733.db2.gz JSWIBSUDMRHOSE-LLVKDONJSA-N 1 0 262.313 0.031 20 10 CCCDRO NC(=O)[C@H]1Cc2ccccc2N(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852832365 644015926 /nfs/dbraw/zinc/01/59/26/644015926.db2.gz LEBQSXYARBJZIG-AWEZNQCLSA-N 1 0 299.374 0.987 20 10 CCCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000852916604 644056874 /nfs/dbraw/zinc/05/68/74/644056874.db2.gz NSPJZOJYUMSMST-UHFFFAOYSA-N 1 0 289.379 0.755 20 10 CCCDRO Oc1cc2c(cc1C[NH2+]CCN1CC[C@@H](O)C1)OCO2 ZINC000858298720 644605717 /nfs/dbraw/zinc/60/57/17/644605717.db2.gz VINWBWYLKCVEGN-LLVKDONJSA-N 1 0 280.324 0.277 20 10 CCCDRO O[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858301281 644606828 /nfs/dbraw/zinc/60/68/28/644606828.db2.gz UGPWLWKNPDEDHQ-HZPDHXFCSA-N 1 0 292.379 0.763 20 10 CCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865738683 645407036 /nfs/dbraw/zinc/40/70/36/645407036.db2.gz JEHIWPDTOMGKEB-RNCFNFMXSA-N 1 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/nfs/dbraw/zinc/82/45/43/805824543.db2.gz LYIQIDGDRQIFHM-GXSJLCMTSA-N 1 0 292.335 0.674 20 10 CCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001232836292 805986641 /nfs/dbraw/zinc/98/66/41/805986641.db2.gz MWNUXAYBBWPQAY-IUODEOHRSA-N 1 0 280.368 0.633 20 10 CCCDRO O=C1NC[C@@]2(CCCN(Cc3cc(O)c(O)c(O)c3)C2)O1 ZINC001233016752 806007771 /nfs/dbraw/zinc/00/77/71/806007771.db2.gz NEQQGFYZQDPGLQ-CQSZACIVSA-N 1 0 294.307 0.878 20 10 CCCDRO Oc1ccc(F)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234985851 806328672 /nfs/dbraw/zinc/32/86/72/806328672.db2.gz GIVGXXPFEPVKIT-CQSZACIVSA-N 1 0 265.332 0.669 20 10 CCCDRO CN(C)c1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235051768 806352367 /nfs/dbraw/zinc/35/23/67/806352367.db2.gz LLVMEVSCVDMKRP-INIZCTEOSA-N 1 0 274.412 0.890 20 10 CCCDRO CCOc1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064271 806366036 /nfs/dbraw/zinc/36/60/36/806366036.db2.gz WOEYJJILPWZPFP-MRXNPFEDSA-N 1 0 291.395 0.928 20 10 CCCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(O)c(O)cc1O)C2 ZINC001235167821 806380462 /nfs/dbraw/zinc/38/04/62/806380462.db2.gz BGJUGWDAXWGQQW-TVQRCGJNSA-N 1 0 250.298 0.727 20 10 CCCDRO COC(=O)Cc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236023060 806529224 /nfs/dbraw/zinc/52/92/24/806529224.db2.gz NECQJTSHYJHTRZ-WFASDCNBSA-N 1 0 276.336 0.641 20 10 CCCDRO COC(=O)[C@@H]1CN(Cc2c(C)cc(C)cc2O)C[C@H]1[NH3+] ZINC001236356763 806585225 /nfs/dbraw/zinc/58/52/25/806585225.db2.gz RPLLGEJGKYDMKS-CHWSQXEVSA-N 1 0 278.352 0.941 20 10 CCCDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)CO)c(Cl)c1 ZINC001236796611 806610766 /nfs/dbraw/zinc/61/07/66/806610766.db2.gz WZJSPEMGDNAZCV-QMMMGPOBSA-N 1 0 275.732 0.839 20 10 CCCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001237046330 806633546 /nfs/dbraw/zinc/63/35/46/806633546.db2.gz AHQPLJHDHZOTRI-FZMZJTMJSA-N 1 0 267.325 0.576 20 10 CCCDRO CC(=O)N1CCN(c2ccc(C[NH2+]C[C@@H](C)O)cc2)CC1 ZINC001120599954 798883387 /nfs/dbraw/zinc/88/33/87/798883387.db2.gz RWJCDWIFUDZTRB-CYBMUJFWSA-N 1 0 291.395 0.826 20 10 CCCDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])Cc2ccccn2)cc1 ZINC001121895106 799086359 /nfs/dbraw/zinc/08/63/59/799086359.db2.gz AVSOQFNRQLAKOW-OAHLLOKOSA-N 1 0 284.363 0.893 20 10 CCCDRO NC(=O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499082 799737340 /nfs/dbraw/zinc/73/73/40/799737340.db2.gz UJNRRLCQXGZNRH-UHFFFAOYSA-N 1 0 275.352 0.440 20 10 CCCDRO OC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC001140057681 799878419 /nfs/dbraw/zinc/87/84/19/799878419.db2.gz KBNWGCXMTXCYTL-NOZJJQNGSA-N 1 0 255.289 0.706 20 10 CCCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1 ZINC001140623332 799926887 /nfs/dbraw/zinc/92/68/87/799926887.db2.gz NUKREDDHNXBOJA-ZDUSSCGKSA-N 1 0 276.336 0.744 20 10 CCCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001140744216 799937275 /nfs/dbraw/zinc/93/72/75/799937275.db2.gz PSWIKUXPZIFYEB-HIFRSBDPSA-N 1 0 281.352 0.971 20 10 CCCDRO CNC(=O)CC[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141028133 799973861 /nfs/dbraw/zinc/97/38/61/799973861.db2.gz CEEVUIIJGMUGGW-UHFFFAOYSA-N 1 0 282.340 0.977 20 10 CCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031889 799973877 /nfs/dbraw/zinc/97/38/77/799973877.db2.gz NMHTVKWUUUXTBL-GWCFXTLKSA-N 1 0 297.351 0.585 20 10 CCCDRO O=C1NCC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141157858 799984537 /nfs/dbraw/zinc/98/45/37/799984537.db2.gz NPEUTBIYNKWEOF-CQSZACIVSA-N 1 0 262.309 0.810 20 10 CCCDRO C[N@H+](CCN1CCOCC1)Cc1cc(O)ccc1O ZINC001141155759 799985685 /nfs/dbraw/zinc/98/56/85/799985685.db2.gz IZGVBFIAYCCUEG-UHFFFAOYSA-N 1 0 266.341 0.862 20 10 CCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161134501 802098090 /nfs/dbraw/zinc/09/80/90/802098090.db2.gz AGRUTNDLIJMCMK-HNNXBMFYSA-N 1 0 290.411 0.663 20 10 CCCDRO Cn1ccc(-c2cncc(N3CCC([NH3+])CC3)n2)cc1=O ZINC001240977091 806960346 /nfs/dbraw/zinc/96/03/46/806960346.db2.gz DHXJUJPDOQTURY-UHFFFAOYSA-N 1 0 285.351 0.770 20 10 CCCDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCO1 ZINC001203875322 803049219 /nfs/dbraw/zinc/04/92/19/803049219.db2.gz LKXRSSAJPZEMCL-GFCCVEGCSA-N 1 0 266.341 0.860 20 10 CCCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277385 803077236 /nfs/dbraw/zinc/07/72/36/803077236.db2.gz CEBNYWCFOTZARS-LLVKDONJSA-N 1 0 250.298 0.808 20 10 CCCDRO COc1cc(CN2CC[C@H](CO)[C@@H](O)C2)cc(O)c1O ZINC001204344181 803079443 /nfs/dbraw/zinc/07/94/43/803079443.db2.gz VSTUXQLJBZLELW-PWSUYJOCSA-N 1 0 283.324 0.282 20 10 CCCDRO COC(=O)Cc1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204691298 803097204 /nfs/dbraw/zinc/09/72/04/803097204.db2.gz ABODPDAGBTUWQA-UHFFFAOYSA-N 1 0 278.352 0.903 20 10 CCCDRO Cc1cc(F)cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205973558 803194922 /nfs/dbraw/zinc/19/49/22/803194922.db2.gz YWUNXHSDLCFALB-VXGBXAGGSA-N 1 0 254.305 0.734 20 10 CCCDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)cc1O ZINC001206065477 803200544 /nfs/dbraw/zinc/20/05/44/803200544.db2.gz XODFMTYLSZHAAR-PSASIEDQSA-N 1 0 252.314 0.885 20 10 CCCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001220114862 804502568 /nfs/dbraw/zinc/50/25/68/804502568.db2.gz ACDBKALLLKPISH-GXSJLCMTSA-N 1 0 294.351 0.850 20 10 CCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1CCCC[NH2+]1 ZINC001220115759 804504383 /nfs/dbraw/zinc/50/43/83/804504383.db2.gz SGASJKZFDDMJSF-JTQLQIEISA-N 1 0 280.324 0.604 20 10 CCCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)C1 ZINC001220489569 804613764 /nfs/dbraw/zinc/61/37/64/804613764.db2.gz AXPIDLCLFRUCDK-KOLCDFICSA-N 1 0 292.335 0.785 20 10 CCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c(O)c1 ZINC001220825438 804673778 /nfs/dbraw/zinc/67/37/78/804673778.db2.gz HRFSPQOZSYAXLX-JQWIXIFHSA-N 1 0 264.325 0.348 20 10 CCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1 ZINC001246309279 807217043 /nfs/dbraw/zinc/21/70/43/807217043.db2.gz JGQJTFDWOKUUND-JSGCOSHPSA-N 1 0 277.368 0.746 20 10 CCCDRO C[NH+](C)CCNC(=S)NCC(=O)c1ccc(O)c(O)c1 ZINC001249849209 807577737 /nfs/dbraw/zinc/57/77/37/807577737.db2.gz XYCQELIGMGWZQN-UHFFFAOYSA-N 1 0 297.380 0.306 20 10 CCCDRO Oc1cccc2c1C[N@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251020068 807642592 /nfs/dbraw/zinc/64/25/92/807642592.db2.gz CLZUVJRECYDMEB-CQSZACIVSA-N 1 0 292.379 0.443 20 10 CCCDRO CC[NH+](CC)C[C@@H](O)CNC[C@@H](O)c1ccc(O)c(O)c1 ZINC001253175516 808016856 /nfs/dbraw/zinc/01/68/56/808016856.db2.gz NUCFWRZTMCXPIG-SWLSCSKDSA-N 1 0 298.383 0.424 20 10 CCCDRO CC[NH+](CC)C[C@@H](O)CNCc1cccc(O)c1O ZINC001253210989 808032559 /nfs/dbraw/zinc/03/25/59/808032559.db2.gz QTWCMZBZQRCIAV-LBPRGKRZSA-N 1 0 268.357 0.890 20 10 CCCDRO C[C@]1(C(=O)NCc2c(O)cccc2F)C[NH2+]CCO1 ZINC001263199666 809479404 /nfs/dbraw/zinc/47/94/04/809479404.db2.gz MUXJGTVJIWXLIZ-CYBMUJFWSA-N 1 0 268.288 0.526 20 10 CCCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141159134 811822392 /nfs/dbraw/zinc/82/23/92/811822392.db2.gz AKQXUNSLQGZYQL-JOYOIKCWSA-N 1 0 262.309 0.666 20 10 CCCDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c(OC)c1 ZINC001236289516 817234811 /nfs/dbraw/zinc/23/48/11/817234811.db2.gz HXPVZCDRMCRUBU-PWSUYJOCSA-N 1 0 264.325 0.813 20 10 CCCDRO CN(Cc1ccccc1O)C(=O)[C@@H](N)C[NH+](C)C ZINC000702350787 819101087 /nfs/dbraw/zinc/10/10/87/819101087.db2.gz LISWOKUMVBJKFT-NSHDSACASA-N 1 0 251.330 0.240 20 10 CCCDRO CO[C@@](C)(CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000702527098 819141880 /nfs/dbraw/zinc/14/18/80/819141880.db2.gz GCAVUSDOCBZKIQ-CYBMUJFWSA-N 1 0 269.297 0.608 20 10 CCCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCOC[C@H]1O)OCO2 ZINC000706730344 819672938 /nfs/dbraw/zinc/67/29/38/819672938.db2.gz HRECPYMPOFHWEG-MWLCHTKSSA-N 1 0 267.281 0.360 20 10 CCCDRO COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000706772867 819676978 /nfs/dbraw/zinc/67/69/78/819676978.db2.gz HFTTXGPIAQCJFR-GHMZBOCLSA-N 1 0 253.298 0.640 20 10 CCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnon2)cc1C ZINC001135562903 839299274 /nfs/dbraw/zinc/29/92/74/839299274.db2.gz YFHSQENBNRKBDH-UHFFFAOYSA-N 1 0 290.323 0.906 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001203620452 844436240 /nfs/dbraw/zinc/43/62/40/844436240.db2.gz FXSYQTRYXIMYHQ-YPMHNXCESA-N 1 0 267.325 0.576 20 10 CCCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001203620984 844437712 /nfs/dbraw/zinc/43/77/12/844437712.db2.gz LXZWTRHQSDVESB-CABCVRRESA-N 1 0 281.352 0.966 20 10 CCCDRO CN(C)c1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206102229 839762641 /nfs/dbraw/zinc/76/26/41/839762641.db2.gz UHCTVLSCGPXOPW-CHWSQXEVSA-N 1 0 265.357 0.352 20 10 CCCDRO C[C@H]1C(=O)N(C)CCN1Cc1c(O)cc(O)cc1O ZINC001144514430 840072136 /nfs/dbraw/zinc/07/21/36/840072136.db2.gz CZGYCBLLCNXSQQ-QMMMGPOBSA-N 1 0 266.297 0.466 20 10 CCCDRO CN1CC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144514881 840073745 /nfs/dbraw/zinc/07/37/45/840073745.db2.gz WEVYZJAUHLXQGA-JOYOIKCWSA-N 1 0 264.325 0.939 20 10 CCCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514868 840075882 /nfs/dbraw/zinc/07/58/82/840075882.db2.gz VPDRGTWPOCQPDE-NSHDSACASA-N 1 0 280.324 0.856 20 10 CCCDRO CN(C)c1ccc(/C=C/C(=O)NCC[NH2+]CCO)cc1 ZINC001180128782 843103549 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ZINC001335568600 920282928 /nfs/dbraw/zinc/28/29/28/920282928.db2.gz ORDWFLBJTZOPCJ-CYBMUJFWSA-N 1 0 278.356 0.447 20 10 CCCDRO Oc1ccccc1C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001350329249 925171156 /nfs/dbraw/zinc/17/11/56/925171156.db2.gz BRYBXPHJPJBKMD-UHFFFAOYSA-N 1 0 273.340 0.828 20 10 CCCDRO C[NH+](C)C[C@]1(O)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001352549690 925597398 /nfs/dbraw/zinc/59/73/98/925597398.db2.gz MSXLZULHJVUYJX-GFCCVEGCSA-N 1 0 270.354 0.592 20 10 CCCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N)cc2)C1 ZINC001356227888 926357041 /nfs/dbraw/zinc/35/70/41/926357041.db2.gz LSPUJUPYYLKRDH-TZMCWYRMSA-N 1 0 263.341 0.652 20 10 CCCDRO